 Entering Gaussian System, Link 0=g16
 Input=13_p-fenchone_STD_B3LYPDBJ-augccpVDZr.in
 Output=13_p-fenchone_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/13_p-fenchone_STD/Gau-75687.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/13_p-fenchone_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     75697.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=13_p-fenchone_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 21:12:27 2021, MaxMem= 17179869184 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "13_p-fenchone_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.256274000000     -0.193232000000      0.100473000000
  C                                                 1.349487000000      1.010756000000     -0.889322000000
  C                                                -0.013711000000     -0.924147000000     -0.323910000000
  O                                                -0.081470000000     -1.984998000000     -0.891809000000
  C                                                -1.211573000000     -0.047150000000      0.092965000000
  C                                                -0.469997000000      1.179899000000      0.694048000000
  C                                                 0.233116000000      1.981577000000     -0.416911000000
  C                                                 2.489674000000     -1.059953000000      0.182168000000
  H                                                 1.229251000000      0.690503000000     -1.924862000000
  H                                                 2.339697000000      1.460602000000     -0.802597000000
  C                                                -2.035714000000     -0.783936000000      1.160201000000
  C                                                -2.115356000000      0.237323000000     -1.107895000000
  C                                                 0.749179000000      0.522371000000      1.370549000000
  H                                                -1.107153000000      1.783001000000      1.340408000000
  H                                                 0.663977000000      2.891365000000      0.002850000000
  H                                                -0.435453000000      2.286350000000     -1.218901000000
  H                                                 2.359792000000     -1.859595000000      0.913309000000
  H                                                 3.360905000000     -0.468217000000      0.470414000000
  H                                                 2.694356000000     -1.528857000000     -0.781354000000
  H                                                -1.463296000000     -0.990162000000      2.063972000000
  H                                                -2.391668000000     -1.735344000000      0.764373000000
  H                                                -2.901737000000     -0.179918000000      1.439283000000
  H                                                -1.570895000000      0.659830000000     -1.951248000000
  H                                                -2.910306000000      0.933429000000     -0.830639000000
  H                                                -2.574732000000     -0.690743000000     -1.448265000000
  H                                                 0.501923000000     -0.165536000000      2.178308000000
  H                                                 1.468832000000      1.252232000000      1.745219000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 21:12:27 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256274   -0.193232    0.100473
      2          6           0        1.349487    1.010756   -0.889322
      3          6           0       -0.013711   -0.924147   -0.323910
      4          8           0       -0.081470   -1.984998   -0.891809
      5          6           0       -1.211573   -0.047150    0.092965
      6          6           0       -0.469997    1.179899    0.694048
      7          6           0        0.233116    1.981577   -0.416911
      8          6           0        2.489674   -1.059953    0.182168
      9          1           0        1.229251    0.690503   -1.924862
     10          1           0        2.339697    1.460602   -0.802597
     11          6           0       -2.035714   -0.783936    1.160201
     12          6           0       -2.115356    0.237323   -1.107895
     13          6           0        0.749179    0.522371    1.370549
     14          1           0       -1.107153    1.783001    1.340408
     15          1           0        0.663977    2.891365    0.002850
     16          1           0       -0.435453    2.286350   -1.218901
     17          1           0        2.359792   -1.859595    0.913309
     18          1           0        3.360905   -0.468217    0.470414
     19          1           0        2.694356   -1.528857   -0.781354
     20          1           0       -1.463296   -0.990162    2.063972
     21          1           0       -2.391668   -1.735344    0.764373
     22          1           0       -2.901737   -0.179918    1.439283
     23          1           0       -1.570895    0.659830   -1.951248
     24          1           0       -2.910306    0.933429   -0.830639
     25          1           0       -2.574732   -0.690743   -1.448265
     26          1           0        0.501923   -0.165536    2.178308
     27          1           0        1.468832    1.252232    1.745219
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.561400   0.000000
     3  C    1.525516   2.433485   0.000000
     4  O    2.446346   3.319968   1.205199   0.000000
     5  C    2.472178   2.939912   1.542006   2.449932   0.000000
     6  C    2.284257   2.417890   2.381480   3.561245   1.554633
     7  C    2.458522   1.553045   2.917671   4.007270   2.542210
     8  C    1.509687   2.595371   2.557635   2.935969   3.838353
     9  H    2.209909   1.090579   2.591350   3.153331   3.251673
    10  H    2.173593   1.091054   3.384479   4.212145   3.960665
    11  C    3.508438   4.345233   2.512119   3.077721   1.536572
    12  C    3.607412   3.556840   2.525976   3.020281   1.529645
    13  C    1.543479   2.388704   2.354911   3.477807   2.408552
    14  H    3.320952   3.406338   3.360687   4.498070   2.217311
    15  H    3.142465   2.191480   3.888980   5.013484   3.487217
    16  H    3.278874   2.218507   3.359489   4.298454   2.787217
    17  H    2.157596   3.536822   2.835364   3.038739   4.088101
    18  H    2.154517   2.842894   3.496692   4.000778   4.607312
    19  H    2.151649   2.875754   2.812216   2.815222   4.268041
    20  H    3.447678   4.542837   2.794215   3.411126   2.199433
    21  H    4.015763   4.926663   2.738080   2.853468   2.166428
    22  H    4.368254   4.991294   3.464595   4.079977   2.164914
    23  H    3.595853   3.127214   2.753549   3.214951   2.192656
    24  H    4.415509   4.260899   3.478164   4.064883   2.168011
    25  H    4.162056   4.313584   2.806685   2.863755   2.155877
    26  H    2.210704   3.392990   2.665045   3.616132   2.701618
    27  H    2.199940   2.648275   3.349008   4.453876   3.406304
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.539898   0.000000
     8  C    3.746813   3.834300   0.000000
     9  H    3.160007   2.221052   3.015350   0.000000
    10  H    3.195797   2.204054   2.710250   1.756594   0.000000
    11  C    2.554489   3.909339   4.638089   4.727746   5.294785
    12  C    2.615847   3.005861   4.955148   3.472636   4.630023
    13  C    1.541553   2.364448   2.635398   3.334437   2.851769
    14  H    1.089716   2.218992   4.728749   4.161048   4.071509
    15  H    2.166280   1.090667   4.356402   2.979833   2.346032
    16  H    2.210159   1.087685   4.660162   2.411711   2.925171
    17  H    4.158642   4.587683   1.091267   3.979490   3.737438
    18  H    4.176375   4.070860   1.091916   3.409388   2.526611
    19  H    4.418970   4.302751   1.090936   2.894771   3.010498
    20  H    2.751817   4.226562   4.378588   5.097572   5.355952
    21  H    3.492335   4.701109   4.962118   5.121306   5.920750
    22  H    2.884066   4.236133   5.605543   5.398163   5.932113
    23  H    2.912051   2.712132   4.898708   2.800438   4.153717
    24  H    2.887997   3.339294   5.844582   4.288621   5.276479
    25  H    3.538180   4.011109   5.333183   4.074957   5.403405
    26  H    2.226623   3.378981   2.955624   4.254152   3.861027
    27  H    2.206638   2.594946   2.971775   3.720542   2.700591
                   11         12         13         14         15
    11  C    0.000000
    12  C    2.488689   0.000000
    13  C    3.083231   3.798618   0.000000
    14  H    2.735665   3.065906   2.244118   0.000000
    15  H    4.704852   4.000298   2.736785   2.480813   0.000000
    16  H    4.200907   2.651963   3.349661   2.693437   1.751418
    17  H    4.531939   5.339408   2.911512   5.046843   5.126046
    18  H    5.449677   5.742672   2.934727   5.078229   4.333455
    19  H    5.167021   5.134136   3.552736   5.470078   4.927045
    20  H    1.089492   3.463039   2.768328   2.888047   4.882598
    21  H    1.090211   2.733706   3.915309   3.789531   5.596724
    22  H    1.092117   2.698259   3.718484   2.661458   4.920410
    23  H    3.461449   1.089125   4.054130   3.508785   3.713879
    24  H    2.770866   1.092419   4.290225   2.947300   4.159774
    25  H    2.665205   1.090039   4.523908   4.006232   5.042467
    26  H    2.803313   4.220376   1.089416   2.662330   3.755466
    27  H    4.095127   4.692196   1.091318   2.661069   2.523965
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.435860   0.000000
    18  H    4.985354   1.770400   0.000000
    19  H    4.954085   1.758751   1.770923   0.000000
    20  H    4.750710   4.086067   5.107325   5.066768   0.000000
    21  H    4.892257   4.755417   5.897806   5.319732   1.762421
    22  H    4.385314   5.548121   6.343698   6.169856   1.765175
    23  H    2.114504   5.477544   5.608885   4.934711   4.342355
    24  H    2.847111   6.214199   6.556328   6.121888   3.764680
    25  H    3.673174   5.593994   6.242006   5.376848   3.696045
    26  H    4.293186   2.814558   3.343994   3.927468   2.134284
    27  H    3.671745   3.342058   2.857449   3.952207   3.705038
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.770600   0.000000
    23  H    3.712832   3.737916   0.000000
    24  H    3.152047   2.528272   1.767666   0.000000
    25  H    2.453665   2.950561   1.756339   1.769748   0.000000
    26  H    3.582789   3.482997   4.693723   4.680256   4.784734
    27  H    4.979069   4.609395   4.822318   5.090533   5.506714
                   26         27
    26  H    0.000000
    27  H    1.769900   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.50D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256274   -0.193232    0.100473
      2          6           0        1.349487    1.010756   -0.889322
      3          6           0       -0.013711   -0.924147   -0.323910
      4          8           0       -0.081470   -1.984998   -0.891809
      5          6           0       -1.211573   -0.047150    0.092965
      6          6           0       -0.469997    1.179899    0.694048
      7          6           0        0.233116    1.981577   -0.416911
      8          6           0        2.489674   -1.059953    0.182168
      9          1           0        1.229251    0.690503   -1.924862
     10          1           0        2.339697    1.460602   -0.802597
     11          6           0       -2.035714   -0.783936    1.160201
     12          6           0       -2.115356    0.237323   -1.107895
     13          6           0        0.749179    0.522371    1.370549
     14          1           0       -1.107153    1.783001    1.340408
     15          1           0        0.663977    2.891365    0.002850
     16          1           0       -0.435453    2.286350   -1.218901
     17          1           0        2.359792   -1.859595    0.913309
     18          1           0        3.360905   -0.468217    0.470414
     19          1           0        2.694356   -1.528857   -0.781354
     20          1           0       -1.463296   -0.990162    2.063972
     21          1           0       -2.391668   -1.735344    0.764373
     22          1           0       -2.901737   -0.179918    1.439283
     23          1           0       -1.570895    0.659830   -1.951248
     24          1           0       -2.910306    0.933429   -0.830639
     25          1           0       -2.574732   -0.690743   -1.448265
     26          1           0        0.501923   -0.165536    2.178308
     27          1           0        1.468832    1.252232    1.745219
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5609830           1.1701666           0.9642173
 Leave Link  202 at Fri Jul  9 21:12:27 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      5      6      7      8     11     12     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       682.9977865711 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0525357737 Hartrees.
 Nuclear repulsion after empirical dispersion term =      682.9452507973 Hartrees.
 Leave Link  301 at Fri Jul  9 21:12:29 2021, MaxMem= 17179869184 cpu:              17.0 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  3.17D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Jul  9 21:12:30 2021, MaxMem= 17179869184 cpu:               5.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 21:12:30 2021, MaxMem= 17179869184 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "13_p-fenchone_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 21:12:31 2021, MaxMem= 17179869184 cpu:               5.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179508935 LenY= 17179332933
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -466.025028027040    
 DIIS: error= 1.63D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -466.025028027040     IErMin= 1 ErrMin= 1.63D-03
 ErrMax= 1.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.08D-03 BMatP= 5.08D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.63D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.218 Goal=   None    Shift=    0.000
 GapD=    0.218 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.89D-02 MaxDP=4.51D+00              OVMax= 1.41D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.51D-02    CP:  1.50D+00
 E= -466.029054845302     Delta-E=       -0.004026818261 Rises=F Damp=F
 DIIS: error= 2.65D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -466.029054845302     IErMin= 2 ErrMin= 2.65D-04
 ErrMax= 2.65D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.39D-05 BMatP= 5.08D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.65D-03
 Coeff-Com:  0.103D-01 0.990D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.103D-01 0.990D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=9.90D-04 MaxDP=1.73D-01 DE=-4.03D-03 OVMax= 4.06D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.12D-04    CP:  1.51D+00  1.03D+00
 E= -466.028898140447     Delta-E=        0.000156704854 Rises=F Damp=F
 DIIS: error= 4.88D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -466.029054845302     IErMin= 2 ErrMin= 2.65D-04
 ErrMax= 4.88D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-04 BMatP= 7.39D-05
 IDIUse=3 WtCom= 3.12D-01 WtEn= 6.88D-01
 Coeff-Com: -0.728D-02 0.669D+00 0.338D+00
 Coeff-En:   0.000D+00 0.743D+00 0.257D+00
 Coeff:     -0.227D-02 0.720D+00 0.282D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.10D-04 MaxDP=9.75D-03 DE= 1.57D-04 OVMax= 2.65D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.76D-05    CP:  1.51D+00  1.03D+00  8.81D-01
 E= -466.029112619761     Delta-E=       -0.000214479313 Rises=F Damp=F
 DIIS: error= 4.26D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -466.029112619761     IErMin= 4 ErrMin= 4.26D-05
 ErrMax= 4.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.14D-06 BMatP= 7.39D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.416D-02 0.244D+00 0.506D-01 0.709D+00
 Coeff:     -0.416D-02 0.244D+00 0.506D-01 0.709D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=4.40D-05 MaxDP=4.13D-03 DE=-2.14D-04 OVMax= 3.75D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.13D-05    CP:  1.51D+00  1.04D+00  8.78D-01  1.18D+00
 E= -466.029116153695     Delta-E=       -0.000003533935 Rises=F Damp=F
 DIIS: error= 1.56D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -466.029116153695     IErMin= 5 ErrMin= 1.56D-05
 ErrMax= 1.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.50D-07 BMatP= 4.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.827D-03 0.134D-01-0.205D-01 0.335D+00 0.673D+00
 Coeff:     -0.827D-03 0.134D-01-0.205D-01 0.335D+00 0.673D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.40D-05 MaxDP=2.15D-03 DE=-3.53D-06 OVMax= 9.09D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.86D-06    CP:  1.51D+00  1.04D+00  8.92D-01  1.17D+00  7.49D-01
 E= -466.029116493722     Delta-E=       -0.000000340026 Rises=F Damp=F
 DIIS: error= 1.88D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -466.029116493722     IErMin= 6 ErrMin= 1.88D-06
 ErrMax= 1.88D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.65D-09 BMatP= 3.50D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.256D-03 0.790D-03-0.903D-02 0.123D+00 0.263D+00 0.623D+00
 Coeff:     -0.256D-03 0.790D-03-0.903D-02 0.123D+00 0.263D+00 0.623D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.50D-06 MaxDP=7.21D-05 DE=-3.40D-07 OVMax= 1.75D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.39D-06    CP:  1.51D+00  1.04D+00  8.93D-01  1.17D+00  7.66D-01
                    CP:  1.01D+00
 E= -466.029116498577     Delta-E=       -0.000000004855 Rises=F Damp=F
 DIIS: error= 9.36D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -466.029116498577     IErMin= 7 ErrMin= 9.36D-07
 ErrMax= 9.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.64D-10 BMatP= 5.65D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.216D-04-0.110D-02-0.156D-02 0.160D-01 0.361D-01 0.306D+00
 Coeff-Com:  0.645D+00
 Coeff:     -0.216D-04-0.110D-02-0.156D-02 0.160D-01 0.361D-01 0.306D+00
 Coeff:      0.645D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=4.99D-07 MaxDP=2.25D-05 DE=-4.86D-09 OVMax= 5.79D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.47D-07    CP:  1.51D+00  1.04D+00  8.94D-01  1.17D+00  7.65D-01
                    CP:  1.03D+00  8.33D-01
 E= -466.029116499637     Delta-E=       -0.000000001060 Rises=F Damp=F
 DIIS: error= 1.33D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -466.029116499637     IErMin= 8 ErrMin= 1.33D-07
 ErrMax= 1.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-11 BMatP= 9.64D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.453D-05-0.372D-03-0.611D-04-0.634D-03-0.109D-02 0.735D-01
 Coeff-Com:  0.216D+00 0.713D+00
 Coeff:      0.453D-05-0.372D-03-0.611D-04-0.634D-03-0.109D-02 0.735D-01
 Coeff:      0.216D+00 0.713D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.01D-07 MaxDP=4.89D-06 DE=-1.06D-09 OVMax= 8.92D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.59D-08    CP:  1.51D+00  1.04D+00  8.94D-01  1.17D+00  7.66D-01
                    CP:  1.03D+00  8.39D-01  9.54D-01
 E= -466.029116499648     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 4.33D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -466.029116499648     IErMin= 9 ErrMin= 4.33D-08
 ErrMax= 4.33D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-12 BMatP= 2.13D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.315D-05-0.141D-03 0.342D-04-0.973D-03-0.200D-02 0.245D-01
 Coeff-Com:  0.821D-01 0.370D+00 0.526D+00
 Coeff:      0.315D-05-0.141D-03 0.342D-04-0.973D-03-0.200D-02 0.245D-01
 Coeff:      0.821D-01 0.370D+00 0.526D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=3.31D-08 MaxDP=4.45D-06 DE=-1.11D-11 OVMax= 3.54D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.59D-08    CP:  1.51D+00  1.04D+00  8.94D-01  1.17D+00  7.66D-01
                    CP:  1.03D+00  8.42D-01  9.85D-01  8.80D-01
 E= -466.029116499628     Delta-E=        0.000000000020 Rises=F Damp=F
 DIIS: error= 7.21D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -466.029116499648     IErMin=10 ErrMin= 7.21D-09
 ErrMax= 7.21D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-13 BMatP= 3.59D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.892D-06-0.243D-04 0.233D-04-0.381D-03-0.795D-03 0.329D-02
 Coeff-Com:  0.136D-01 0.838D-01 0.193D+00 0.708D+00
 Coeff:      0.892D-06-0.243D-04 0.233D-04-0.381D-03-0.795D-03 0.329D-02
 Coeff:      0.136D-01 0.838D-01 0.193D+00 0.708D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=7.41D-09 MaxDP=5.83D-07 DE= 2.02D-11 OVMax= 6.81D-08

 SCF Done:  E(RB3LYP) =  -466.029116500     A.U. after   10 cycles
            NFock= 10  Conv=0.74D-08     -V/T= 2.0061
 KE= 4.632087213601D+02 PE=-2.447677635166D+03 EE= 8.354945465091D+02
 Leave Link  502 at Fri Jul  9 21:14:46 2021, MaxMem= 17179869184 cpu:            1625.6 elap:             135.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.93902361D+02

 Leave Link  801 at Fri Jul  9 21:14:47 2021, MaxMem= 17179869184 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 2.13D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 2.83D-01 9.43D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 6.88D-02 3.20D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 5.31D-03 1.17D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 3.80D-04 4.26D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.29D-05 7.70D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 3.23D-07 1.04D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 7.16D-09 1.12D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 1.16D-10 1.85D-06.
      8 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 1.14D-12 1.98D-07.
      2 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 1.84D-14 1.55D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.129322D+03
      2  0.210863D+00  0.118206D+03
      3 -0.596672D+00  0.630548D+00  0.108819D+03
 Isotropic polarizability for W=    0.085645      118.78 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.750856D+00 -0.209487D+02  0.327743D+00
      2   0.850905D+01  0.324255D+02 -0.254729D+02
      3  -0.775820D+01 -0.114768D+02  0.251451D+02
      4   0.921866D+01  0.111282D+02  0.282620D+01
      5   0.144812D+02  0.204448D+01 -0.139171D+02
      6   0.183049D+01 -0.922365D+01  0.167976D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.179437D+01  0.851884D+01 -0.134316D+02
      2  -0.818213D+01 -0.223159D+00 -0.374893D+01
      3   0.168990D+02 -0.468362D+01 -0.238717D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.781720D+00  0.162492D+02 -0.282744D+02
      2  -0.141534D+02  0.995710D+00 -0.615891D+01
      3   0.301674D+02 -0.261914D+01 -0.213990D+00
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.150060D+01  0.177798D+00 -0.630216D+00
      2   0.177798D+00 -0.474743D-01  0.101088D+01
      3  -0.630216D+00  0.101088D+01  0.732107D+00
 OR G Eigenvalues:    -1.7953    -0.5075     1.4868  Iso=     0.2720
 Eigenvectors:
   (1)   0.896310  -0.286785   0.338204
   (2)   0.419321   0.796224  -0.436116
   (3)  -0.144215   0.532711   0.833919
 w=    0.085645 a.u., Optical Rotation Beta=      0.2720 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       84.73 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.72D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.11D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 5.77D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 1.67D-02 2.15D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 8.63D-04 4.72D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 1.62D-05 6.96D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 1.30D-07 4.29D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 8.50D-10 4.74D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 2.78D-12 2.00D-07.
     14 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 1.03D-14 8.70D-09.
      1 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 1.69D-15 3.45D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   225 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.52D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.52D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.30D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129322D+03  0.210863D+00 -0.596672D+00
      2   0.210863D+00  0.118206D+03  0.630548D+00
      3  -0.596672D+00  0.630548D+00  0.108819D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.179437D+01  0.851884D+01 -0.134316D+02
      2  -0.818213D+01 -0.223159D+00 -0.374893D+01
      3   0.168990D+02 -0.468362D+01 -0.238717D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.750856D+00 -0.209487D+02  0.327743D+00
      2   0.850905D+01  0.324255D+02 -0.254729D+02
      3  -0.775820D+01 -0.114768D+02  0.251451D+02
      4   0.921866D+01  0.111282D+02  0.282620D+01
      5   0.144812D+02  0.204448D+01 -0.139171D+02
      6   0.183049D+01 -0.922365D+01  0.167976D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.508260D+01  0.406920D+01  0.754127D+00  0.460025D+01 -0.663878D+00
      2   0.406920D+01 -0.294131D+00  0.123634D+01 -0.663878D+00 -0.431774D+01
      3   0.754127D+00  0.123634D+01  0.262597D+01  0.154907D+01  0.127823D+01
                 6             7             8             9            10 
      1   0.154907D+01  0.247504D+01  0.242787D+01  0.154329D+01 -0.492331D+01
      2   0.127823D+01  0.242787D+01  0.229003D+01 -0.396980D+01 -0.510070D+01
      3  -0.413907D+01  0.154329D+01 -0.396980D+01 -0.163621D+01 -0.678725D-01
                11            12            13            14            15 
      1  -0.510070D+01 -0.678725D-01 -0.415001D+01  0.284116D+00  0.369994D+00
      2  -0.591792D+00  0.521680D+00  0.284116D+00  0.233801D+01 -0.168630D+01
      3   0.521680D+00  0.792274D+00  0.369994D+00 -0.168630D+01  0.298935D+01
                16            17            18            19            20 
      1  -0.221630D+01  0.356964D-01 -0.723436D+00 -0.104760D+01 -0.213846D+01
      2   0.356964D-01 -0.361639D+01  0.281963D+01 -0.213846D+01  0.221027D+01
      3  -0.723436D+00  0.281963D+01  0.447119D+01 -0.117564D+01  0.533419D+00
                21            22            23            24            25 
      1  -0.117564D+01 -0.760886D+01  0.230250D+01  0.490037D+00 -0.392225D+01
      2   0.533419D+00  0.230250D+01  0.419594D+01  0.213833D+01  0.672644D+00
      3  -0.565489D+00  0.490037D+00  0.213833D+01  0.243457D+00 -0.999010D+00
                26            27            28            29            30 
      1   0.672644D+00 -0.999010D+00 -0.175779D+00 -0.218716D+01 -0.102512D+01
      2   0.230463D+01  0.182897D+01 -0.218716D+01 -0.325259D+00 -0.127973D+00
      3   0.182897D+01  0.746954D+00 -0.102512D+01 -0.127973D+00 -0.983679D-01
                31            32            33            34            35 
      1   0.550694D+00 -0.611469D+00 -0.161524D+00  0.335047D-01 -0.353005D+00
      2  -0.611469D+00 -0.116508D+02 -0.368350D+01 -0.353005D+00 -0.352815D+01
      3  -0.161524D+00 -0.368350D+01 -0.199700D+01  0.174330D+00 -0.392869D+01
                36            37            38            39            40 
      1   0.174330D+00 -0.410958D+01  0.111424D+01  0.768907D+00  0.313073D+01
      2  -0.392869D+01  0.111424D+01 -0.272090D+01 -0.296559D+01 -0.424937D+01
      3  -0.373340D+01  0.768907D+00 -0.296559D+01  0.270749D+01 -0.461992D+01
                41            42            43            44            45 
      1  -0.424937D+01 -0.461992D+01  0.152687D+01 -0.418220D+01  0.369550D+01
      2  -0.137947D+01 -0.113015D+01 -0.418220D+01 -0.212504D+01  0.287934D+00
      3  -0.113015D+01  0.115934D+01  0.369550D+01  0.287934D+00 -0.242948D+00
                46            47            48            49            50 
      1   0.167981D+01  0.590870D+00 -0.197466D+01  0.502902D+00  0.365734D+01
      2   0.590870D+00  0.234196D+01  0.441375D+01  0.365734D+01  0.645771D+00
      3  -0.197466D+01  0.441375D+01 -0.640204D+00  0.533817D+01 -0.776515D-01
                51            52            53            54            55 
      1   0.533817D+01 -0.143564D+01  0.509185D+01  0.193433D+00  0.151383D+00
      2  -0.776515D-01  0.509185D+01  0.106135D+01 -0.236696D+01  0.111064D+00
      3  -0.967312D+00  0.193433D+00 -0.236696D+01 -0.287273D+00  0.116164D+01
                56            57            58            59            60 
      1   0.111064D+00  0.116164D+01  0.127896D+01 -0.238596D+01 -0.292196D+01
      2  -0.241954D+01 -0.336482D+01 -0.238596D+01 -0.368873D+01 -0.117793D+01
      3  -0.336482D+01  0.184938D+01 -0.292196D+01 -0.117793D+01  0.449647D+00
                61            62            63            64            65 
      1   0.889982D+00 -0.360655D+01  0.260686D+01 -0.290929D+01 -0.408680D+01
      2  -0.360655D+01 -0.189253D+01 -0.104507D+01 -0.408680D+01  0.375116D+00
      3   0.260686D+01 -0.104507D+01  0.440743D+00 -0.867854D+00 -0.156081D+01
                66            67            68            69            70 
      1  -0.867854D+00 -0.439204D+01 -0.985663D+00 -0.167320D+01 -0.480455D+00
      2  -0.156081D+01 -0.985663D+00  0.278422D+01 -0.184191D+01 -0.194089D+01
      3  -0.135994D+01 -0.167320D+01 -0.184191D+01  0.431643D+01 -0.230557D+01
                71            72            73            74            75 
      1  -0.194089D+01 -0.230557D+01  0.578974D+00  0.295141D+00 -0.864583D+00
      2  -0.198753D+01  0.451493D+01  0.295141D+00 -0.144993D+00 -0.254896D-01
      3   0.451493D+01  0.189768D+01 -0.864583D+00 -0.254896D-01 -0.423828D+00
                76            77            78            79            80 
      1  -0.626756D-01  0.270948D+00  0.390018D+00 -0.131888D+01  0.725686D-01
      2   0.270948D+00 -0.630121D+00 -0.820256D+00  0.725686D-01 -0.985409D+00
      3   0.390018D+00 -0.820256D+00 -0.208141D+01  0.120765D+01 -0.457718D+00
                81            82            83            84            85 
      1   0.120765D+01  0.916357D+01  0.376203D+01 -0.129209D+01  0.281683D+01
      2  -0.457718D+00  0.376203D+01  0.296013D+01 -0.772550D+00  0.197772D+01
      3  -0.824652D+01 -0.129209D+01 -0.772550D+00  0.107898D+01 -0.525450D+00
                86            87            88            89            90 
      1   0.197772D+01 -0.525450D+00  0.834189D+00  0.281906D+00  0.100741D+01
      2   0.205995D+01 -0.255058D+00  0.281906D+00  0.784219D+00  0.305027D+00
      3  -0.255058D+00  0.284803D+00  0.100741D+01  0.305027D+00 -0.597630D+00
                91            92            93            94            95 
      1   0.343505D+01 -0.197118D+01 -0.164447D+01 -0.359351D+01  0.358969D+01
      2  -0.197118D+01  0.198289D+01  0.339809D+01  0.358969D+01  0.331748D+01
      3  -0.164447D+01  0.339809D+01 -0.329146D+01  0.436262D+01  0.995028D+00
                96            97            98            99           100 
      1   0.436262D+01 -0.227579D+00  0.359357D+01 -0.347371D+01  0.304876D+01
      2   0.995028D+00  0.359357D+01  0.231294D+01 -0.342705D-01 -0.188015D+01
      3  -0.128342D+01 -0.347371D+01 -0.342705D-01 -0.165193D+01 -0.373124D+00
               101           102           103           104           105 
      1  -0.188015D+01 -0.373124D+00 -0.180922D+01  0.456151D+01  0.335304D+01
      2   0.312264D+01  0.262863D+01  0.456151D+01  0.109502D+01  0.210435D+01
      3   0.262863D+01 -0.381505D+01  0.335304D+01  0.210435D+01 -0.416305D+00
               106           107           108           109           110 
      1  -0.178540D+01  0.364024D+01 -0.345476D+01 -0.961440D+00 -0.330627D+01
      2   0.364024D+01  0.125220D+01 -0.459513D+00 -0.330627D+01 -0.176239D+01
      3  -0.345476D+01 -0.459513D+00  0.131451D+01 -0.174734D+00 -0.445347D+01
               111           112           113           114           115 
      1  -0.174734D+00 -0.351269D+01 -0.199030D+01 -0.437413D+01  0.727602D+00
      2  -0.445347D+01 -0.199030D+01  0.369697D+00 -0.249664D+01 -0.418997D+01
      3  -0.542725D+00 -0.437413D+01 -0.249664D+01  0.333606D+01 -0.118191D+01
               116           117           118           119           120 
      1  -0.418997D+01 -0.118191D+01 -0.422551D+01  0.217821D+01  0.233734D+01
      2  -0.975570D+00  0.379295D+01  0.217821D+01 -0.262242D+01 -0.177152D+01
      3   0.379295D+01 -0.132078D+01  0.233734D+01 -0.177152D+01 -0.199113D+01
               121           122           123           124           125 
      1   0.173889D+01 -0.244003D+01 -0.173472D+01  0.198660D+01 -0.189728D+01
      2  -0.244003D+01  0.400035D+01  0.202687D+01 -0.189728D+01  0.213118D+01
      3  -0.173472D+01  0.202687D+01  0.200199D+01 -0.216533D+01  0.245389D+01
               126           127           128           129           130 
      1  -0.216533D+01  0.145693D+01  0.188070D+01  0.103702D+00  0.153656D+01
      2   0.245389D+01  0.188070D+01  0.312075D+01  0.625396D+00  0.222759D+01
      3   0.347703D+01  0.103702D+00  0.625396D+00  0.235623D+00  0.390167D+00
               131           132           133           134           135 
      1   0.222759D+01  0.390167D+00  0.603466D+00  0.103206D+01  0.206993D+00
      2   0.960684D+01  0.121187D+01  0.103206D+01  0.309325D+01  0.155374D+01
      3   0.121187D+01  0.998005D+00  0.206993D+00  0.155374D+01  0.852521D+00
               136           137           138           139           140 
      1  -0.283628D+01  0.124622D+01 -0.179002D+01  0.595820D+00 -0.102976D+01
      2   0.124622D+01 -0.191133D+01  0.155877D+01 -0.102976D+01  0.277697D+01
      3  -0.179002D+01  0.155877D+01 -0.203143D+01  0.855378D+00 -0.139005D+01
               141           142           143           144           145 
      1   0.855378D+00 -0.205766D+01  0.130737D+01 -0.194645D+01  0.133345D+00
      2  -0.139005D+01  0.130737D+01 -0.224651D+01  0.228482D+01 -0.312460D+00
      3   0.131881D+01 -0.194645D+01  0.228482D+01 -0.375706D+01  0.618509D+00
               146           147           148           149           150 
      1  -0.312460D+00  0.618509D+00 -0.115436D+01  0.158482D+01 -0.471187D+00
      2  -0.395954D+00  0.234498D+00  0.158482D+01 -0.565320D+01  0.282989D+01
      3   0.234498D+00 -0.160611D+00 -0.471187D+00  0.282989D+01 -0.271956D+01
               151           152           153           154           155 
      1   0.160351D+01 -0.891650D+00  0.106138D+01  0.868822D+01  0.160629D+01
      2  -0.891650D+00  0.345261D+01 -0.301614D+01  0.160629D+01  0.121872D+01
      3   0.106138D+01 -0.301614D+01  0.298209D+01  0.155592D+01  0.377452D+00
               156           157           158           159           160 
      1   0.155592D+01  0.477317D+01  0.153414D+01  0.871371D+00  0.203139D+01
      2   0.377452D+00  0.153414D+01  0.143184D+01  0.540075D+00  0.457934D+00
      3   0.122949D+01  0.871371D+00  0.540075D+00  0.496634D+00  0.173200D+01
               161           162           163           164           165 
      1   0.457934D+00  0.173200D+01  0.179202D+01 -0.584377D+00 -0.115989D+01
      2   0.628824D+00 -0.163653D+00 -0.584377D+00  0.694070D+00  0.839369D+00
      3  -0.163653D+00  0.693040D+00 -0.115989D+01  0.839369D+00  0.111414D+01
               166           167           168           169           170 
      1  -0.112729D+01  0.158971D+01  0.108605D+01 -0.323915D+01  0.199234D+01
      2   0.158971D+01 -0.267200D+01 -0.142671D+01  0.199234D+01 -0.237949D+01
      3   0.108605D+01 -0.142671D+01 -0.216472D+01  0.240891D+01 -0.263394D+01
               171           172           173           174           175 
      1   0.240891D+01  0.147799D+01  0.247209D+00  0.114177D+01  0.133477D+00
      2  -0.263394D+01  0.247209D+00  0.667816D+00 -0.952942D+00 -0.336192D-01
      3  -0.493751D+01  0.114177D+01 -0.952942D+00  0.242497D+01 -0.571296D+00
               176           177           178           179           180 
      1  -0.336192D-01 -0.571296D+00  0.161321D+01 -0.244004D+00  0.104100D+01
      2  -0.119895D+01  0.112080D+01 -0.244004D+00  0.117808D+01 -0.162720D+01
      3   0.112080D+01 -0.117695D+01  0.104100D+01 -0.162720D+01  0.632013D+01
               181           182           183           184           185 
      1  -0.244350D+01 -0.172734D+01 -0.153449D-02 -0.277917D+01 -0.347798D+01
      2  -0.172734D+01 -0.213658D+01 -0.402900D+00 -0.347798D+01 -0.649860D+01
      3  -0.153449D-02 -0.402900D+00 -0.115058D+00 -0.147095D+00 -0.100135D+00
               186           187           188           189           190 
      1  -0.147095D+00 -0.138034D+01 -0.127735D+01 -0.112521D+00 -0.782124D+01
      2  -0.100135D+00 -0.127735D+01 -0.169013D+01 -0.698510D+00  0.165121D+01
      3  -0.116970D+01 -0.112521D+00 -0.698510D+00 -0.530123D+00  0.282608D+01
               191           192           193           194           195 
      1   0.165121D+01  0.282608D+01  0.440353D+01 -0.213676D+01 -0.207851D+01
      2  -0.155666D+01 -0.705956D+00 -0.213676D+01  0.135950D+01  0.711280D+00
      3  -0.705956D+00 -0.179453D+01 -0.207851D+01  0.711280D+00  0.175378D+01
               196           197           198           199           200 
      1   0.162017D+01 -0.763025D+00 -0.146575D+01  0.140980D+01  0.878777D+00
      2  -0.763025D+00  0.179323D+00  0.500677D+00  0.878777D+00  0.513235D+00
      3  -0.146575D+01  0.500677D+00  0.175087D+01 -0.720265D+00 -0.782469D+00
               201           202           203           204           205 
      1  -0.720265D+00  0.114084D+01  0.604054D-01 -0.340800D+00 -0.114589D+01
      2  -0.782469D+00  0.604054D-01  0.124433D+01 -0.141163D+01 -0.653064D+00
      3   0.238247D+01 -0.340800D+00 -0.141163D+01  0.175698D+01  0.761642D+00
               206           207           208           209           210 
      1  -0.653064D+00  0.761642D+00 -0.701136D+01  0.303625D+01 -0.363367D+00
      2  -0.149570D+01  0.175923D+01  0.303625D+01 -0.249461D+01 -0.720757D-01
      3   0.175923D+01 -0.577638D+01 -0.363367D+00 -0.720757D-01 -0.768372D+00
               211           212           213           214           215 
      1   0.430189D+01 -0.335652D+01  0.439354D-01  0.205746D+01 -0.103897D+01
      2  -0.335652D+01  0.303405D+01 -0.393504D+00 -0.103897D+01  0.625272D+00
      3   0.439354D-01 -0.393504D+00  0.935937D+00 -0.522774D+00  0.546601D+00
               216           217           218           219           220 
      1  -0.522774D+00 -0.328228D+01 -0.159860D+01 -0.135264D+01 -0.348240D+01
      2   0.546601D+00 -0.159860D+01 -0.187880D+01 -0.108476D+01 -0.287018D+01
      3   0.322649D+00 -0.135264D+01 -0.108476D+01 -0.841540D+00 -0.214814D+01
               221           222           223           224           225 
      1  -0.287018D+01 -0.214814D+01 -0.109430D+01 -0.115383D+01 -0.107050D+01
      2  -0.387465D+01 -0.182011D+01 -0.115383D+01 -0.121424D+01 -0.120541D+01
      3  -0.182011D+01 -0.229134D+01 -0.107050D+01 -0.120541D+01 -0.196081D+01
               226           227           228           229           230 
      1  -0.980613D+00 -0.391738D+00  0.100981D+01 -0.695506D+00  0.299390D-01
      2  -0.391738D+00 -0.179245D+00  0.672150D+00  0.299390D-01 -0.226003D+01
      3   0.100981D+01  0.672150D+00 -0.560466D+00  0.480425D+00  0.245307D+01
               231           232           233           234           235 
      1   0.480425D+00  0.103072D+01  0.374020D+00 -0.135980D+00  0.462934D+01
      2   0.245307D+01  0.374020D+00  0.153197D+01 -0.228925D+01  0.261783D+01
      3  -0.365007D+01 -0.135980D+00 -0.228925D+01  0.640510D+01  0.257007D+01
               236           237           238           239           240 
      1   0.261783D+01  0.257007D+01  0.286319D+01  0.256105D+01  0.218766D+01
      2   0.222700D+01  0.200379D+01  0.256105D+01  0.356427D+01  0.230174D+01
      3   0.200379D+01  0.255943D+01  0.218766D+01  0.230174D+01  0.201561D+01
               241           242           243 
      1   0.127012D+01  0.121171D+01  0.191731D+01
      2   0.121171D+01  0.131080D+01  0.124772D+01
      3   0.191731D+01  0.124772D+01  0.300407D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.528579D+00  0.296782D+01  0.420971D+00  0.540984D+00  0.232194D+01
      2  -0.290608D+01  0.290427D+00  0.129285D+02  0.227866D+01  0.283181D+01
      3  -0.704541D+01 -0.722383D+01 -0.142666D+00  0.320110D+01  0.640580D+01
                 6             7             8             9            10 
      1  -0.481884D+01  0.208780D+01  0.187335D+01 -0.317553D+00  0.601051D+01
      2  -0.733972D+01  0.194093D-01 -0.106977D+02 -0.449141D+01 -0.167368D+01
      3  -0.251985D+01 -0.450138D+01 -0.791487D+01  0.525741D+01  0.100639D+02
                11            12            13            14            15 
      1  -0.185699D+01 -0.195025D+01 -0.165749D+01  0.161805D+01 -0.126338D+01
      2  -0.380515D+00  0.319939D+01 -0.465577D+01 -0.173918D+01  0.673836D+01
      3  -0.500292D+01 -0.162749D+01 -0.292219D+01 -0.370964D+01  0.350035D+01
                16            17            18            19            20 
      1  -0.883837D+00  0.457456D+01 -0.923230D+01 -0.239413D+00 -0.156347D+01
      2  -0.429334D+01  0.879576D+01  0.116539D+02  0.231214D+01  0.316599D+01
      3  -0.606994D+00  0.922958D+01 -0.518377D+01  0.298811D+01  0.225479D+01
                21            22            23            24            25 
      1  -0.164620D+01  0.114321D+01 -0.745017D+01  0.627736D+01 -0.996526D+00
      2  -0.797305D+01  0.102830D+02 -0.138085D+01  0.324642D+01 -0.217334D+02
      3  -0.238896D+01  0.908516D+01 -0.413229D+01  0.775743D+00 -0.851693D+01
                26            27            28            29            30 
      1   0.101489D+02  0.922524D+01 -0.274748D+00  0.820792D+00 -0.181103D+00
      2   0.395903D+01  0.220036D+01 -0.142550D+01 -0.144022D+01  0.357262D+01
      3   0.516268D+00 -0.107719D+01 -0.257109D+00  0.354976D+00  0.192585D+01
                31            32            33            34            35 
      1  -0.462454D+00  0.416004D+01 -0.101383D+02 -0.612403D-01 -0.473732D+00
      2  -0.946394D+01  0.292142D+00  0.181143D+01  0.112080D+01  0.593292D-02
      3   0.120700D+02  0.296495D+01  0.150441D+01  0.956202D+01  0.973786D+00
                36            37            38            39            40 
      1  -0.715696D+01  0.101833D+01 -0.262196D+01  0.320207D+01 -0.630309D+00
      2   0.610257D+00  0.134237D+01  0.394616D+01  0.724046D+00  0.771575D+01
      3   0.116042D+01 -0.668214D+00 -0.128396D+02 -0.566605D+01 -0.304546D+01
                41            42            43            44            45 
      1  -0.171463D+01 -0.640116D+01  0.190514D+01  0.296947D+01 -0.279463D+00
      2   0.443352D+01 -0.519162D+01 -0.939415D+01  0.498789D+00 -0.210861D+01
      3  -0.979755D+00 -0.514970D+01 -0.804230D+01 -0.230065D+01  0.103563D+01
                46            47            48            49            50 
      1   0.411266D+01 -0.530991D+01  0.618282D+01 -0.616880D+01  0.316899D+00
      2   0.219342D+01 -0.216903D+01  0.535435D+01 -0.515308D+01 -0.138109D+01
      3  -0.294806D+01 -0.173711D+01 -0.498535D+00  0.513781D+01  0.515271D+01
                51            52            53            54            55 
      1   0.268744D+00  0.624268D+01  0.808009D+01 -0.819735D+00 -0.510697D+01
      2  -0.384472D+01 -0.185815D+01 -0.523467D+01 -0.445561D+00 -0.107320D+01
      3   0.682794D+01  0.978181D+00  0.667069D+01 -0.230617D+01  0.571222D+00
                56            57            58            59            60 
      1   0.127055D+02 -0.517555D+01  0.115927D+02  0.604088D+01 -0.278352D+01
      2   0.448168D+00  0.285017D+01  0.899115D+00 -0.136598D+01 -0.177701D+01
      3  -0.153160D+01  0.347465D+01  0.704241D+01 -0.641290D+01 -0.945170D+01
                61            62            63            64            65 
      1  -0.692224D+01  0.562645D+01 -0.236009D+01 -0.663738D+00 -0.267327D+01
      2  -0.542525D+00 -0.258384D+01  0.265834D+01 -0.827552D+00 -0.410749D+01
      3   0.344631D+01 -0.118086D+02  0.870519D+01  0.159286D+02  0.197585D+01
                66            67            68            69            70 
      1  -0.199245D+01 -0.268958D+01 -0.220531D+01  0.480176D+01 -0.585001D+01
      2  -0.177144D+01 -0.575229D+01 -0.505028D+01  0.130520D+02 -0.104709D+02
      3   0.602738D+01  0.114513D+02 -0.862957D+01  0.807220D+01  0.625433D+01
                71            72            73            74            75 
      1   0.921177D+01  0.333364D+01  0.606789D+00  0.739449D+00  0.638163D+00
      2   0.140386D+02  0.581077D+01 -0.209332D+01 -0.144316D+00 -0.127479D+01
      3   0.762224D+01 -0.112991D+02 -0.820017D+00 -0.143052D+00 -0.588863D+00
                76            77            78            79            80 
      1  -0.791591D-01  0.284103D+01  0.185050D+01 -0.148061D+01  0.524849D+01
      2  -0.493300D+00 -0.158694D+01 -0.396491D+01 -0.280128D+01 -0.972625D+00
      3   0.426702D+00  0.190569D+01  0.115791D+01 -0.107351D+01  0.208977D+01
                81            82            83            84            85 
      1   0.993832D+01 -0.177469D+01 -0.226801D+01 -0.153858D+01 -0.145517D+01
      2  -0.141192D+02  0.516044D+01 -0.621170D+00  0.430546D+01  0.276386D+01
      3   0.201339D+01  0.268131D+01 -0.643771D+01  0.781493D+00  0.162365D+01
                86            87            88            89            90 
      1  -0.161085D+01 -0.134744D+01 -0.767841D+00 -0.301145D+00  0.470017D+00
      2   0.118808D+01  0.631746D+00  0.673509D+00 -0.743459D+00 -0.679270D+00
      3  -0.262655D+01 -0.468407D+00  0.143305D-01 -0.209948D+01  0.230304D+00
                91            92            93            94            95 
      1  -0.357394D+01  0.687773D+01  0.225646D+00  0.873925D+01  0.802801D+01
      2   0.352371D+00 -0.666129D+01  0.119347D+02 -0.996918D+01 -0.710510D+01
      3  -0.716558D+01  0.458411D+01  0.102075D+02  0.114262D+02  0.688226D+01
                96            97            98            99           100 
      1  -0.435932D+00  0.150047D+01  0.506385D+01 -0.416775D+01  0.974489D+00
      2  -0.905271D+00  0.839183D+01 -0.514764D+01  0.119131D+02  0.406369D+01
      3   0.102037D+01  0.111051D+02  0.200739D+01  0.303095D+01 -0.312883D+01
               101           102           103           104           105 
      1  -0.420766D+01 -0.451164D+01 -0.722632D+01 -0.220544D+01 -0.574553D+01
      2  -0.870834D+01  0.116721D+02 -0.930650D+01 -0.215650D+01  0.587754D+01
      3   0.637868D+01  0.750909D+01  0.148063D+02  0.366014D+01  0.753907D+01
               106           107           108           109           110 
      1  -0.534969D+01 -0.141458D+01  0.330767D+00 -0.697872D+01  0.332616D+00
      2   0.694466D+01  0.536389D+01 -0.923208D+01 -0.413250D+01 -0.449361D+00
      3   0.112838D+02  0.446897D+01 -0.253914D+01  0.376577D+01 -0.432923D+01
               111           112           113           114           115 
      1  -0.882056D+01 -0.779284D+00 -0.784367D+00 -0.107674D+02 -0.699070D+01
      2  -0.108614D+01  0.139086D+01 -0.245345D+01  0.114462D+02 -0.549218D+01
      3   0.269972D+01  0.934625D+00 -0.386530D+01  0.109690D+00  0.424797D+01
               116           117           118           119           120 
      1  -0.299811D+01  0.664685D+01 -0.157299D+01 -0.860882D+00  0.232757D+01
      2   0.112568D+02 -0.238637D+01  0.335237D+01 -0.923961D+00  0.126402D+01
      3  -0.666560D+00 -0.424938D+01 -0.594606D+01 -0.137999D+01  0.208753D+01
               121           122           123           124           125 
      1   0.573610D+00  0.141033D+01 -0.323839D+01  0.135135D+01  0.345566D+00
      2  -0.117959D+01  0.944835D+00 -0.113546D+01 -0.310371D+01  0.401886D+00
      3   0.335898D+01  0.123604D+00 -0.129323D+01  0.311854D+01  0.779090D-01
               126           127           128           129           130 
      1  -0.386100D+01 -0.797059D+00 -0.371421D+01 -0.173794D+01 -0.226612D+01
      2  -0.102699D+01  0.478367D+00  0.586039D+00  0.152042D+01  0.436765D+00
      3  -0.136661D+01  0.422035D+01  0.224724D+01  0.251969D+00  0.630915D+01
               131           132           133           134           135 
      1  -0.727170D+01 -0.642163D+01 -0.502229D+00 -0.392303D+01 -0.396758D+01
      2   0.116358D+01  0.114697D+01 -0.252124D+00  0.702912D+00 -0.188476D+00
      3   0.315495D+01  0.933647D+00  0.228462D+01  0.189074D+01 -0.128750D+00
               136           137           138           139           140 
      1   0.516486D+01 -0.204371D+01  0.616870D+01 -0.140726D+01  0.194496D+01
      2  -0.379865D+01  0.494883D+00 -0.867744D+00  0.708744D+00 -0.119320D+01
      3  -0.101000D+02  0.139412D+01 -0.488140D+01  0.273116D+01 -0.218354D+01
               141           142           143           144           145 
      1  -0.339652D+01  0.541218D+01 -0.216161D+01  0.989417D+01  0.705588D+00
      2   0.835208D-01 -0.504541D+01  0.114086D+01 -0.168390D+01  0.177445D+01
      3   0.275636D+01 -0.758089D+01  0.350877D+01 -0.583525D+01  0.945755D+00
               146           147           148           149           150 
      1   0.389039D-01 -0.414459D+00 -0.404330D+00  0.185966D+01 -0.558807D+01
      2   0.231877D+00 -0.827059D-01  0.240176D-01  0.760305D+01 -0.819872D+01
      3   0.484064D+00 -0.147013D+01 -0.347372D+00  0.146373D+02 -0.796709D+01
               151           152           153           154           155 
      1   0.852881D+00 -0.170752D+01  0.455848D+01  0.202583D+01  0.141622D+01
      2   0.236201D+00 -0.811113D+01  0.829807D+01  0.240551D+01  0.913030D+00
      3  -0.100153D+01 -0.957508D+01  0.782510D+01 -0.127729D+02 -0.863735D+01
               156           157           158           159           160 
      1   0.927144D+00  0.120685D+01  0.133216D+01 -0.451956D+00  0.177438D+01
      2   0.585412D+01  0.172509D+01  0.119119D+01  0.237521D+01  0.292161D+01
      3  -0.294955D+01 -0.705264D+01 -0.724098D+01 -0.237157D+01 -0.359734D+01
               161           162           163           164           165 
      1   0.932461D+00  0.445993D+00 -0.176159D+01  0.110531D+01  0.207671D+01
      2  -0.593354D+00  0.211860D+01 -0.359320D+01  0.293673D+01  0.440839D+01
      3  -0.318764D+01 -0.107067D+01  0.312981D+00 -0.208248D+01 -0.933460D+00
               166           167           168           169           170 
      1   0.179638D+01 -0.149087D+01 -0.483338D+01  0.347961D+01 -0.186374D+01
      2   0.254765D+01 -0.421239D+01 -0.729758D+01  0.438771D+01 -0.768744D+01
      3  -0.111693D+01  0.615235D+01  0.294028D+01 -0.523049D+00  0.586192D+01
               171           172           173           174           175 
      1  -0.823984D+01  0.268937D+01  0.120148D+01  0.189012D+01 -0.408871D+00
      2  -0.153284D+02 -0.881225D+01  0.104330D+01 -0.737070D+01  0.167619D+01
      3   0.547232D+01 -0.330660D+01  0.367661D+00 -0.366678D+01  0.959605D+00
               176           177           178           179           180 
      1  -0.104872D+01 -0.699009D+00  0.140447D+01  0.240346D+01  0.493564D+01
      2  -0.250998D+01  0.325102D+01 -0.954410D+01  0.370663D+01 -0.166310D+02
      3  -0.241124D+01  0.280874D+01 -0.376669D+01  0.247103D+01 -0.548832D+01
               181           182           183           184           185 
      1  -0.276094D+01 -0.350920D+01 -0.126808D+01 -0.474164D+01 -0.927096D+01
      2   0.291842D+01  0.302847D+01  0.116570D+01  0.361894D+01  0.492397D+01
      3  -0.149456D+01 -0.480587D+01 -0.814779D+00 -0.301858D+01 -0.140373D+02
               186           187           188           189           190 
      1  -0.465599D+01 -0.100498D+01 -0.223613D+01 -0.278268D+01  0.409638D+01
      2   0.465980D+01  0.334934D-01  0.287349D+01  0.202890D+01  0.209612D+01
      3  -0.566216D+00 -0.747322D+00 -0.364470D+01 -0.213863D+01  0.796218D+01
               191           192           193           194           195 
      1  -0.401968D+01 -0.156822D+01 -0.360282D+01  0.286976D+01  0.321500D+00
      2  -0.546010D+00  0.390822D+01  0.460204D+00  0.566504D+00 -0.393662D+01
      3  -0.775782D+01 -0.328659D+01 -0.508360D+01  0.563506D+01  0.177302D+01
               196           197           198           199           200 
      1  -0.232028D+01  0.166561D+01  0.200274D+01 -0.209355D+01 -0.225899D+01
      2  -0.433080D+00 -0.448983D-01 -0.311888D+01  0.699567D+01  0.407644D+01
      3  -0.321223D+01  0.201358D+01  0.207756D+01  0.336012D+01  0.143516D+01
               201           202           203           204           205 
      1   0.661564D+00 -0.122093D+01 -0.278157D+01  0.682115D+00  0.143560D+01
      2  -0.644035D+01  0.442552D+01  0.450016D+01 -0.537677D+01 -0.766633D+01
      3  -0.242843D+01  0.244716D+01  0.368049D+01 -0.379038D+01 -0.318661D+01
               206           207           208           209           210 
      1   0.442238D+01 -0.794508D+00 -0.329954D+01  0.324668D+01  0.191868D+01
      2  -0.610928D+01  0.152382D+02 -0.502927D+01  0.332950D+01  0.426826D+01
      3  -0.375893D+01  0.492008D+01  0.478751D+01 -0.774694D+01 -0.422668D+00
               211           212           213           214           215 
      1   0.373952D+01 -0.336141D+01 -0.177731D+01  0.102341D+01  0.118878D+00
      2   0.365652D+01 -0.168962D+01 -0.443684D+01  0.641982D+00 -0.153455D+01
      3  -0.528182D+01  0.824848D+01 -0.100182D+01 -0.214804D+01  0.194136D+01
               216           217           218           219           220 
      1  -0.134361D+01  0.294742D+01  0.348336D+01  0.121165D+01  0.388097D+01
      2  -0.192999D+01 -0.433197D+00  0.631563D+00  0.183120D+01  0.358062D+00
      3   0.119585D+01 -0.458265D+01 -0.634898D+01 -0.328799D+01 -0.492813D+01
               221           222           223           224           225 
      1   0.760474D+01  0.588957D+00  0.224086D+01  0.333365D+01  0.143961D+01
      2   0.158821D+01  0.469875D+01 -0.210526D+00  0.118901D+01  0.393562D+01
      3  -0.123251D+02 -0.455989D+01 -0.313341D+01 -0.421771D+01 -0.323737D+01
               226           227           228           229           230 
      1  -0.172266D+01 -0.206071D+01  0.205355D+01 -0.441767D+00 -0.676877D+01
      2   0.478976D+01  0.240048D+01 -0.173098D+01  0.472423D+01  0.296759D+01
      3   0.601216D+00 -0.715430D-01 -0.171233D+00  0.242138D+01  0.270713D+01
               231           232           233           234           235 
      1   0.490904D+01  0.129623D+01  0.749618D+01 -0.712709D+01  0.279691D+01
      2  -0.569672D+01 -0.536362D+01 -0.365499D+01  0.639976D+01 -0.473445D+01
      3  -0.236776D+01 -0.949032D+00 -0.103579D+01  0.257106D+01  0.194007D+01
               236           237           238           239           240 
      1   0.403278D+01  0.899672D+00  0.272658D+01  0.530248D+01  0.657318D+00
      2  -0.105754D+01  0.224268D+01 -0.371948D+01 -0.370075D+00  0.829402D-01
      3  -0.250189D+01 -0.556428D-01  0.202236D+01 -0.264926D+01 -0.507939D+00
               241           242           243 
      1   0.123008D+01  0.266571D+01 -0.455219D+00
      2  -0.182471D+01 -0.925616D+00  0.800041D+00
      3   0.292037D+00 -0.113401D+01  0.425066D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.182250D+02  0.899075D+01 -0.140112D+01  0.153974D+02  0.933788D+00
      2  -0.113606D+02 -0.534471D+01 -0.324194D+01 -0.895872D+01  0.551677D+01
      3  -0.686435D+01 -0.364604D+01  0.464307D+01 -0.643870D+01 -0.645055D+01
      4   0.157284D+02  0.474538D+01  0.190568D+01  0.291249D+01 -0.342637D+01
      5  -0.135291D+01  0.438937D+01  0.117491D+02  0.854612D+01  0.932555D+01
      6  -0.819939D+00  0.939147D+00  0.699650D+01  0.475016D+01  0.730780D+01
                 6             7             8             9            10 
      1   0.440123D+01  0.400189D+01  0.704237D+01  0.827191D+01 -0.216856D+02
      2  -0.262982D+00 -0.180197D+01  0.118752D-01 -0.247266D+01  0.312275D+01
      3  -0.413825D+01 -0.219992D+01 -0.705424D+01 -0.579924D+01  0.185629D+02
      4   0.591970D+01  0.591424D+01  0.838941D+01 -0.133331D+02 -0.281822D+02
      5  -0.723108D+01  0.784483D+01 -0.135456D+02 -0.181212D+01  0.953454D+01
      6  -0.180915D+01 -0.445722D+01 -0.302135D+01 -0.134642D+01  0.776727D+01
                11            12            13            14            15 
      1  -0.191057D+02  0.129326D+01 -0.192654D+02 -0.565257D+01  0.792403D+01
      2   0.145916D+02  0.252082D+01  0.115700D+02 -0.175240D+01  0.909202D+00
      3   0.451415D+01 -0.381408D+01  0.769542D+01  0.740497D+01 -0.883323D+01
      4  -0.130510D+02  0.322483D+01 -0.133815D+02  0.293555D+01 -0.462195D+01
      5   0.991698D+01  0.216066D+01  0.649251D+01 -0.680525D+01  0.831946D+01
      6   0.686092D+01 -0.151468D+01  0.635190D+00 -0.665190D+01  0.508341D+01
                16            17            18            19            20 
      1  -0.639595D+01  0.453280D+01  0.600354D+01 -0.236273D+02 -0.791227D+00
      2   0.326900D+01  0.170499D-01  0.149408D+02  0.148801D+02 -0.210018D+01
      3   0.312695D+01 -0.454985D+01 -0.209444D+02  0.874726D+01  0.289141D+01
      4  -0.272038D+01 -0.630827D+01  0.874480D+01 -0.266832D+01 -0.708156D+01
      5   0.148210D+01  0.107397D+02  0.979040D+01  0.182707D+01 -0.194576D+01
      6   0.306626D+01  0.871767D+01 -0.692151D+00  0.124549D+01 -0.151283D+01
                21            22            23            24            25 
      1  -0.779463D+00 -0.297341D+01  0.166512D+02  0.551821D+01 -0.374340D+01
      2   0.986917D+00 -0.143731D+00 -0.257906D+02 -0.458078D+00  0.355743D+01
      3  -0.207454D+00  0.311714D+01  0.913939D+01 -0.506013D+01  0.185969D+00
      4  -0.529378D+00 -0.100336D+02  0.353883D+01  0.146028D+00 -0.859785D+01
      5  -0.998708D+01 -0.119843D+02 -0.371378D+01  0.464078D+01 -0.145012D+01
      6  -0.972066D+00 -0.840038D-01 -0.189042D+02 -0.119055D+02 -0.301099D+00
                26            27            28            29            30 
      1   0.739771D+01  0.215738D+01  0.964110D+00 -0.951206D+00 -0.112702D+01
      2  -0.147884D+02 -0.581927D+01  0.284711D+01  0.175459D+01  0.215648D+00
      3   0.739070D+01  0.366189D+01 -0.381122D+01 -0.803384D+00  0.911371D+00
      4  -0.705387D+00  0.257925D+01  0.177831D+01  0.126329D+02  0.349594D+01
      5   0.173381D+01  0.371765D+00 -0.301494D+00  0.305808D+01  0.743958D+01
      6  -0.270776D+01 -0.112114D+02  0.437683D+01  0.618994D+00  0.154908D+01
                31            32            33            34            35 
      1   0.159206D+01 -0.422813D+02 -0.146900D+02  0.340226D+00 -0.169816D+02
      2  -0.200071D+00  0.636067D+02  0.117206D+02 -0.747761D+00  0.136246D+02
      3  -0.139199D+01 -0.213255D+02  0.296940D+01  0.407535D+00  0.335704D+01
      4   0.165904D+02  0.266170D+00 -0.916964D+00  0.634841D+01 -0.863732D+00
      5   0.605311D+01  0.172647D+01  0.766182D+00  0.841918D+01  0.228980D+01
      6  -0.395718D+00  0.303040D+02  0.238052D+02  0.996554D+00  0.255017D+02
                36            37            38            39            40 
      1  -0.181169D+02  0.161725D+02  0.156661D+01 -0.692529D-01 -0.699764D+01
      2   0.804521D+01 -0.532868D+01 -0.176027D+01  0.228507D+01  0.755972D+01
      3   0.100717D+02 -0.108438D+02  0.193659D+00 -0.221582D+01 -0.562077D+00
      4  -0.382488D+00 -0.593606D+01  0.105096D+02  0.127392D+02  0.701093D+01
      5   0.231742D+01 -0.672354D+01  0.110008D+02 -0.803822D+01  0.173837D+02
      6   0.236715D+02  0.604637D+01 -0.948828D+00 -0.867969D+01  0.143675D+01
                41            42            43            44            45 
      1   0.949813D+01  0.121422D+02 -0.148575D+01  0.137615D+02 -0.142665D+02
      2  -0.455556D+01 -0.118524D+02  0.137482D+00 -0.103400D+02  0.101061D+02
      3  -0.494257D+01 -0.289812D+00  0.134827D+01 -0.342149D+01  0.416045D+01
      4  -0.331206D+01  0.459125D+01  0.174304D+02  0.956486D+00 -0.495642D+01
      5   0.440234D+01 -0.117433D+02 -0.181271D+02 -0.301072D+01 -0.251960D+01
      6   0.113298D+01 -0.183926D+01 -0.524047D+01 -0.232994D+01  0.719838D+01
                46            47            48            49            50 
      1  -0.690781D+00 -0.544016D+01 -0.918134D+01 -0.976089D+01 -0.514652D+01
      2   0.504098D+01  0.207856D+01  0.129911D+02  0.451783D+01  0.476149D+01
      3  -0.435020D+01  0.336160D+01 -0.380975D+01  0.524306D+01  0.385034D+00
      4   0.806798D+01 -0.578778D+01 -0.743439D+01 -0.730064D+01  0.666695D+01
      5   0.361178D+01 -0.235574D+01 -0.840038D+01 -0.348301D+01  0.521380D+01
      6  -0.451898D+01  0.170302D+02  0.634089D+01  0.136877D+02 -0.336361D+01
                51            52            53            54            55 
      1  -0.190262D+01 -0.928489D+01 -0.515760D+01  0.509944D+01 -0.884317D-01
      2   0.385828D+01  0.114067D+02  0.806422D+01 -0.598625D+01  0.588427D+00
      3  -0.195566D+01 -0.212182D+01 -0.290662D+01  0.886806D+00 -0.499995D+00
      4   0.942421D+01 -0.126128D+02  0.100191D+02  0.538742D+01 -0.249263D+00
      5   0.533235D+01 -0.375905D+01  0.642411D+01  0.240266D+01 -0.176523D+01
      6  -0.679165D+01  0.790060D+01 -0.798856D+01 -0.480595D+01  0.399083D+01
                56            57            58            59            60 
      1   0.862283D+01  0.109229D+02  0.122420D+02  0.128885D+02  0.246413D+01
      2  -0.185758D+02 -0.161650D+02 -0.173318D+02 -0.263663D+02 -0.917501D+01
      3   0.995295D+01  0.524204D+01  0.508985D+01  0.134777D+02  0.671088D+01
      4  -0.674219D+01  0.341284D+01 -0.197487D+01 -0.120684D+02 -0.103108D+02
      5  -0.151166D+01 -0.345605D+01 -0.288709D+01 -0.418039D+01  0.234028D+01
      6  -0.169744D+02  0.102935D+02 -0.118966D+02 -0.832009D+01 -0.396599D+00
                61            62            63            64            65 
      1   0.119805D+02  0.621021D+01  0.252582D+01 -0.262456D+02 -0.243172D+02
      2  -0.156781D+02 -0.149633D+02 -0.320255D+01  0.213628D+02  0.136156D+02
      3   0.369752D+01  0.875308D+01  0.676731D+00  0.488278D+01  0.107017D+02
      4   0.579094D+01 -0.130501D+02  0.590047D+01 -0.243797D+02  0.372071D+01
      5  -0.362497D+01  0.178317D+01 -0.393692D+01 -0.792050D+01 -0.113889D+02
      6   0.101561D+02 -0.630840D+01  0.512256D+01 -0.335300D+01  0.434177D+01
                66            67            68            69            70 
      1  -0.957631D+01 -0.320173D+02  0.504859D+01 -0.163765D+02 -0.871389D+01
      2   0.800634D+01  0.179062D+02 -0.594990D+01  0.122955D+02  0.615573D+01
      3   0.156997D+01  0.141112D+02  0.901315D+00  0.408095D+01  0.255816D+01
      4  -0.856551D+01 -0.190731D+01  0.107939D+02 -0.539960D+01 -0.107964D+02
      5  -0.859264D+01 -0.147386D+02 -0.833764D+01  0.224282D+02 -0.144009D+02
      6   0.178373D+01  0.187695D+01  0.770274D+01 -0.157943D+02  0.866231D+01
                71            72            73            74            75 
      1  -0.161441D+02 -0.626826D-01  0.209073D+01  0.236100D+01 -0.343124D+01
      2   0.123452D+02 -0.679803D+01 -0.376832D+01 -0.219119D+01  0.825092D+00
      3   0.379889D+01  0.686071D+01  0.167759D+01 -0.169815D+00  0.260615D+01
      4  -0.458272D+01  0.233174D+02  0.268752D+01  0.173393D+01 -0.944710D+00
      5   0.234756D+02  0.119093D+02 -0.345415D+01 -0.495347D+00  0.478378D+01
      6  -0.172915D+02 -0.327310D+01 -0.120850D+01  0.236715D+00 -0.113561D+01
                76            77            78            79            80 
      1   0.815664D+00 -0.185947D+01 -0.181345D+01 -0.163098D+01  0.485303D+00
      2   0.679001D+00 -0.106032D+01 -0.618024D+01  0.549642D+01 -0.433559D+01
      3  -0.149466D+01  0.291978D+01  0.799369D+01 -0.386544D+01  0.385028D+01
      4   0.265676D+01 -0.195182D+01 -0.202469D+01 -0.178763D+01 -0.249225D+01
      5   0.178179D+01 -0.196027D+01 -0.626948D+01  0.904738D+01 -0.160296D+01
      6  -0.868830D+00  0.169108D+01  0.394870D+01  0.118137D+01  0.474036D+01
                81            82            83            84            85 
      1  -0.166706D+02  0.435035D+02  0.124164D+02 -0.388094D+01  0.953955D+01
      2  -0.236854D+02 -0.176364D+02 -0.172998D+01  0.327739D+01  0.244192D+00
      3   0.403560D+02 -0.258671D+02 -0.106864D+02  0.603548D+00 -0.978375D+01
      4   0.118985D+00  0.360577D+02  0.217260D+02 -0.603276D+01  0.193027D+02
      5  -0.224722D+02 -0.177640D+02 -0.854046D+01  0.943928D+01 -0.582333D+01
      6  -0.931360D+01 -0.891703D+01 -0.670688D+01  0.482776D+01 -0.444233D+01
                86            87            88            89            90 
      1   0.482158D+01 -0.149285D+01  0.451964D+01  0.283117D+00  0.236031D+01
      2   0.388691D+01  0.210305D+00 -0.164906D+00  0.822342D+00 -0.405990D+01
      3  -0.870849D+01  0.128254D+01 -0.435474D+01 -0.110546D+01  0.169960D+01
      4   0.151614D+02 -0.264440D+01  0.198356D+01  0.261062D+01  0.349676D+01
      5  -0.319114D+01  0.252732D+01  0.667460D+01  0.181930D+01 -0.343772D+01
      6  -0.420333D+01  0.309317D+01  0.303677D+01  0.171685D+01 -0.955407D+00
                91            92            93            94            95 
      1  -0.201575D+02  0.899917D+01  0.181924D+02  0.165170D+02 -0.124768D+02
      2   0.134430D+02 -0.162580D+02 -0.704041D+01 -0.260024D+02 -0.459127D+01
      3   0.671446D+01  0.725881D+01 -0.111520D+02  0.948534D+01  0.170681D+02
      4   0.966395D+01 -0.100368D+02 -0.134198D+02 -0.135166D+02 -0.176015D+02
      5   0.168039D+02 -0.191046D+02  0.484866D+01 -0.279146D+02 -0.180066D+01
      6  -0.784503D+01  0.335186D+00  0.137036D+02 -0.116778D+01  0.449630D+00
                96            97            98            99           100 
      1  -0.186751D+02  0.150068D+02 -0.155895D+02  0.193859D+02 -0.171688D+02
      2   0.947283D+01 -0.519373D+01  0.395032D+01 -0.503213D+01  0.112906D+01
      3   0.920225D+01 -0.981309D+01  0.116391D+02 -0.143538D+02  0.160398D+02
      4  -0.917637D+01 -0.182170D+02 -0.112115D+02  0.755343D+01  0.138451D+02
      5   0.142528D+02  0.982178D+01  0.672617D+01 -0.626912D+00 -0.183501D+00
      6   0.380158D+01  0.138008D+02  0.241106D+01  0.149272D+01 -0.501597D+00
               101           102           103           104           105 
      1   0.138933D+02 -0.345797D+01  0.169439D+02 -0.191014D+02 -0.163510D+02
      2   0.194121D+01 -0.541384D+01 -0.546447D+00  0.112519D+02  0.605247D+01
      3  -0.158346D+02  0.887181D+01 -0.163975D+02  0.784957D+01  0.102985D+02
      4  -0.215400D+02 -0.123271D+02 -0.284401D+02 -0.269309D+01 -0.926026D+01
      5  -0.973695D+01  0.138984D+02 -0.128117D+02 -0.144272D+02 -0.416508D+01
      6  -0.702520D+01 -0.621992D+01 -0.107779D+02 -0.445604D+01 -0.627122D+01
               106           107           108           109           110 
      1   0.167651D+01 -0.189799D+02  0.199879D+02 -0.230095D+00  0.258975D+01
      2  -0.762808D+01  0.792353D+01 -0.780817D+01 -0.388374D+01  0.585336D+01
      3   0.595157D+01  0.110564D+02 -0.121797D+02  0.411383D+01 -0.844311D+01
      4  -0.182191D+02 -0.408709D+01 -0.287832D+01 -0.889808D+01 -0.587419D+01
      5   0.175583D+02 -0.609787D+01  0.376732D+01 -0.493074D+01 -0.143780D+02
      6  -0.987269D+01 -0.336399D+01  0.363913D+00 -0.853764D+01 -0.119358D+02
               111           112           113           114           115 
      1   0.484246D+01  0.115403D+01  0.323517D+00 -0.982735D+01  0.585405D+01
      2  -0.569803D+01  0.570396D+01  0.289918D+01 -0.615193D+01 -0.667886D+01
      3   0.855565D+00 -0.685798D+01 -0.322270D+01  0.159793D+02  0.824806D+00
      4  -0.911926D+01 -0.876528D+01 -0.346092D+01 -0.769945D+01 -0.852008D+01
      5  -0.339184D+01 -0.149139D+02 -0.969117D+01 -0.501401D+01 -0.551740D+01
      6  -0.122405D+02 -0.105218D+02 -0.566236D+01 -0.555909D+01 -0.841155D+01
               116           117           118           119           120 
      1  -0.106543D+02 -0.394711D+01  0.375777D+01  0.273599D+01  0.188240D+01
      2  -0.541728D+01  0.589181D+01 -0.161158D+01 -0.522234D+01 -0.129630D+00
      3   0.160716D+02 -0.194469D+01 -0.214619D+01  0.248635D+01 -0.175277D+01
      4  -0.599205D+01  0.362894D+01 -0.161160D+02  0.140742D+02  0.102724D+02
      5  -0.178917D+01 -0.245190D+01 -0.124629D+02  0.825578D+01  0.116649D+02
      6  -0.330826D+01  0.608624D+01  0.109565D+02 -0.104531D+02 -0.101401D+02
               121           122           123           124           125 
      1   0.473563D+01 -0.103225D+02 -0.627804D+01  0.283951D+01 -0.654660D+01
      2  -0.661860D+01  0.143161D+02  0.499476D+01 -0.688189D+00  0.336425D+01
      3   0.188297D+01 -0.399363D+01  0.128328D+01 -0.215132D+01  0.318236D+01
      4   0.117353D+02 -0.145052D+02 -0.869738D+01  0.879924D+01 -0.888800D+01
      5   0.641398D+01 -0.773977D+01 -0.632244D+01  0.101116D+02 -0.755773D+01
      6  -0.100778D+02  0.156534D+02  0.135866D+02 -0.102822D+02  0.145244D+02
               126           127           128           129           130 
      1  -0.877531D+01 -0.224408D+01 -0.785392D+01 -0.132187D+01 -0.578659D+01
      2   0.752255D-01  0.896801D+01  0.192733D+02  0.343480D+01  0.134124D+02
      3   0.870009D+01 -0.672394D+01 -0.114193D+02 -0.211293D+01 -0.762579D+01
      4  -0.984822D+01  0.943044D+01  0.163466D+02  0.151894D+01  0.115478D+02
      5  -0.106006D+02  0.593961D+00  0.850528D+00  0.307419D+01  0.527941D-01
      6   0.164834D+02  0.100464D+01  0.303144D+01  0.174111D+01  0.246090D+01
               131           132           133           134           135 
      1  -0.343073D+02 -0.426847D+01 -0.261316D+01 -0.107095D+02 -0.584036D+01
      2   0.660885D+02  0.853213D+01  0.505451D+01  0.197595D+02  0.830491D+01
      3  -0.317811D+02 -0.426367D+01 -0.244135D+01 -0.905008D+01 -0.246455D+01
      4   0.192772D+02  0.336557D+01  0.331292D+01  0.649607D+01  0.292067D+01
      5   0.273215D+01  0.128741D+01  0.264685D+01  0.251869D+01  0.158433D+01
      6   0.773657D+01  0.848688D+01  0.194284D+01  0.121019D+02  0.605801D+01
               136           137           138           139           140 
      1  -0.357794D+00  0.636496D+01 -0.506914D+01  0.274043D+01 -0.101363D+02
      2   0.151253D+01 -0.870648D+01  0.519924D+01 -0.397059D+01  0.150807D+02
      3  -0.115473D+01  0.234153D+01 -0.130102D+00  0.123016D+01 -0.494434D+01
      4  -0.107216D+02  0.872862D+01 -0.730401D+01  0.624654D+01 -0.511476D+01
      5   0.695943D+01 -0.326843D+01  0.585826D+01 -0.179751D+01  0.389966D+01
      6  -0.890662D+01  0.101675D+02 -0.107628D+02  0.686291D+01 -0.998609D+01
               141           142           143           144           145 
      1   0.569533D+01 -0.510034D+01  0.984715D+01 -0.109412D+02  0.206302D+01
      2  -0.563268D+01  0.343336D+01 -0.874573D+01  0.397406D+01 -0.632027D+00
      3  -0.626490D-01  0.166698D+01 -0.110141D+01  0.696716D+01 -0.143099D+01
      4   0.526178D+01 -0.780144D+01  0.643431D+01 -0.728540D+01 -0.705985D+00
      5  -0.246246D+01  0.723279D+01 -0.335452D+01  0.564572D+01  0.287806D+01
      6   0.102345D+02 -0.101048D+02  0.158859D+02 -0.206516D+02 -0.223199D+01
               146           147           148           149           150 
      1  -0.273767D+01  0.487393D+01 -0.274054D+01 -0.110901D+02  0.825592D+01
      2   0.170191D+01 -0.251934D+01 -0.175034D+01  0.208171D+02 -0.909304D+01
      3   0.103576D+01 -0.235459D+01  0.449088D+01 -0.972702D+01  0.837116D+00
      4   0.321032D+01 -0.173555D+01  0.123438D+02 -0.271695D+02  0.128332D+02
      5  -0.686701D+00  0.209011D+01 -0.368890D+01  0.140856D+02 -0.147733D+02
      6  -0.134137D+01  0.894974D+00  0.312999D+01 -0.166264D+02  0.145374D+02
               151           152           153           154           155 
      1   0.682854D+01  0.830748D+01 -0.742034D+01  0.668444D+02  0.123136D+02
      2  -0.293253D+01 -0.947232D+01  0.380125D+01 -0.391451D+02 -0.853061D+01
      3  -0.389601D+01  0.116484D+01  0.361909D+01 -0.276993D+02 -0.378297D+01
      4  -0.730185D+01  0.162773D+02 -0.138497D+02  0.370257D+01  0.920611D+01
      5   0.856579D+01 -0.155342D+02  0.148931D+02  0.156090D+02  0.330251D+01
      6  -0.433340D+01  0.159705D+02 -0.143964D+02 -0.937770D+00  0.351029D+00
               156           157           158           159           160 
      1   0.107036D+02  0.319331D+02  0.961739D+01  0.574608D+01  0.143215D+02
      2  -0.770568D+01 -0.189553D+02 -0.547800D+01 -0.488628D+01 -0.101662D+02
      3  -0.299794D+01 -0.129779D+02 -0.413939D+01 -0.859799D+00 -0.415531D+01
      4   0.127270D+01  0.989027D+01  0.100017D+02  0.301751D+01  0.147714D+01
      5   0.119709D+02  0.832591D+01  0.428016D+01  0.499195D+01  0.147543D+02
      6  -0.142725D+01  0.472976D+00  0.385410D+00  0.213764D+01 -0.142492D+01
               161           162           163           164           165 
      1   0.379926D+01  0.798095D+01  0.112553D+02 -0.219467D+01 -0.498428D+01
      2  -0.360229D+01 -0.590795D+01 -0.575366D+01 -0.610091D+00  0.152294D+01
      3  -0.196971D+00 -0.207300D+01 -0.550168D+01  0.280476D+01  0.346134D+01
      4   0.357964D+01 -0.957189D+00 -0.606177D+01  0.676419D+01  0.720277D+01
      5   0.392577D+00  0.635859D+01 -0.695061D+01  0.613805D+01  0.980583D+01
      6   0.336535D+01  0.821617D-01  0.417951D+01 -0.275310D+01 -0.354218D+01
               166           167           168           169           170 
      1  -0.253943D+01 -0.571423D-01  0.210620D+01 -0.129243D+02  0.375337D+01
      2  -0.214346D+01  0.645604D+01  0.166041D+01  0.593347D+01  0.142444D+01
      3   0.468289D+01 -0.639890D+01 -0.376661D+01  0.699087D+01 -0.517781D+01
      4   0.124761D+02 -0.161552D+02 -0.919628D+01  0.153181D+02 -0.151377D+02
      5   0.744149D+01 -0.817375D+01 -0.129741D+02  0.171830D+02 -0.153143D+02
      6  -0.435653D+01  0.654211D+01  0.106619D+02 -0.796439D+01  0.116204D+02
               171           172           173           174           175 
      1   0.198667D+01 -0.504580D+01  0.224601D+01 -0.116410D+02  0.627904D+00
      2  -0.343372D+01 -0.434224D+00 -0.275077D+00  0.180557D+00  0.142019D+01
      3   0.144706D+01  0.548003D+01 -0.197093D+01  0.114604D+02 -0.204810D+01
      4  -0.156382D+02 -0.282495D+01 -0.366140D+00  0.832911D+00  0.282579D+01
      5  -0.294298D+02  0.102838D+01  0.304056D+01 -0.271847D+01  0.169237D+01
      6   0.160119D+02 -0.129180D+01  0.408421D+01 -0.656562D+01  0.167165D+01
               176           177           178           179           180 
      1  -0.451710D+01  0.797972D+01 -0.105745D+02  0.778920D+01 -0.246137D+02
      2   0.228911D+01 -0.217477D+01  0.219497D+01 -0.112019D+01 -0.814864D+01
      3   0.222798D+01 -0.580495D+01  0.837956D+01 -0.666901D+01  0.327624D+02
      4   0.348092D+01 -0.199962D+01 -0.152981D+01 -0.285876D+01  0.259869D+01
      5  -0.243006D+01  0.177363D+01  0.383183D+01  0.425957D+01 -0.167549D+02
      6  -0.574391D+01  0.861866D+01 -0.285937D+01  0.907079D+01 -0.155632D+02
               181           182           183           184           185 
      1   0.120672D+02  0.623446D+01 -0.492886D+00  0.864722D+01  0.227503D+01
      2  -0.168056D+01  0.397020D+01  0.113595D+01  0.587875D+01  0.202721D+02
      3  -0.103867D+02 -0.102047D+02 -0.643063D+00 -0.145260D+02 -0.225471D+02
      4   0.128349D+02  0.163765D+02  0.239780D+01  0.232810D+02  0.355221D+02
      5  -0.308106D+01  0.267843D+00  0.304108D+01 -0.161901D+01 -0.197509D+01
      6  -0.111697D+01 -0.306182D+01 -0.928296D-01 -0.468299D+01 -0.935002D+01
               186           187           188           189           190 
      1   0.297140D+01  0.464859D+01  0.375508D+01 -0.993359D+00  0.488318D+02
      2   0.176587D+01  0.217124D+00  0.356092D+01  0.177076D+01 -0.330151D+02
      3  -0.473727D+01 -0.486572D+01 -0.731601D+01 -0.777396D+00 -0.158168D+02
      4   0.121339D+01  0.845403D+01  0.917307D+01  0.338837D+01 -0.569412D+01
      5   0.581119D+01  0.186553D+01  0.302849D+01  0.332962D+01 -0.313640D+02
      6   0.473471D+01  0.346117D-01  0.229960D+01  0.135398D+01  0.313524D+01
               191           192           193           194           195 
      1  -0.106813D+02 -0.140669D+02 -0.233551D+02  0.950328D+01  0.727776D+01
      2   0.907919D+01  0.131858D+02  0.178249D+02 -0.488748D+01 -0.832847D+01
      3   0.160210D+01  0.881100D+00  0.553015D+01 -0.461580D+01  0.105072D+01
      4   0.996656D+01  0.239793D+01  0.114580D+02 -0.815223D+01 -0.310338D+01
      5   0.730730D+01  0.181984D+02  0.185432D+02 -0.726134D+01 -0.131939D+02
      6  -0.450743D+01 -0.134761D+01 -0.460724D+01  0.505756D+01  0.257029D+01
               196           197           198           199           200 
      1  -0.887045D+01  0.293653D+01  0.449339D+01 -0.521469D+01 -0.529178D+01
      2   0.101750D+02 -0.292660D+01 -0.845311D+01  0.189733D+01  0.147973D+01
      3  -0.130454D+01 -0.992889D-02  0.395972D+01  0.331736D+01  0.381205D+01
      4   0.295117D+01 -0.121973D+01 -0.258653D+01 -0.101020D+01  0.127720D+01
      5   0.152611D+02 -0.479641D+01 -0.127151D+02 -0.203061D+01  0.717584D+00
      6  -0.231614D+01  0.246325D+01  0.509595D+00 -0.195876D+01 -0.187956D+01
               201           202           203           204           205 
      1   0.850763D+01 -0.637200D+01 -0.437571D+01  0.785561D+01  0.788860D+01
      2   0.222678D+01  0.292081D+01  0.122766D+01  0.439168D+00 -0.152190D+01
      3  -0.107344D+02  0.345119D+01  0.314805D+01 -0.829478D+01 -0.636670D+01
      4   0.184490D+01  0.412928D+01 -0.340314D+01  0.464749D+01  0.952390D+00
      5  -0.360325D+01 -0.109009D+01  0.431306D+01 -0.537188D+01  0.328310D+01
      6   0.249442D+01 -0.516120D+00 -0.508212D+01  0.783933D+01  0.266551D+01
               206           207           208           209           210 
      1   0.911032D+01 -0.213150D+02  0.440721D+02 -0.170247D+02  0.553142D+00
      2  -0.792695D+00 -0.895267D+01 -0.182041D+02  0.400781D+01 -0.172068D+01
      3  -0.831762D+01  0.302677D+02 -0.258680D+02  0.130169D+02  0.116753D+01
      4   0.458842D+01 -0.505362D+01 -0.255190D+02  0.197899D+02 -0.776653D-01
      5  -0.430423D+01  0.160214D+02  0.104243D+02 -0.345852D+01  0.711082D+01
      6   0.784662D+01 -0.991402D+01 -0.557546D+01  0.528696D+01 -0.124437D+01
               211           212           213           214           215 
      1  -0.236867D+02  0.132616D+02  0.141194D+01 -0.111007D+02  0.527916D+01
      2   0.635368D+01  0.207210D+00  0.142917D+01  0.404223D+01 -0.343581D+00
      3   0.173330D+02 -0.134688D+02 -0.284111D+01  0.705844D+01 -0.493558D+01
      4   0.258179D+02 -0.216089D+02  0.187294D+01  0.686521D+01 -0.457986D+01
      5  -0.577061D+01  0.526104D+01 -0.591176D+01  0.415788D+01 -0.273618D+01
      6   0.638822D+01 -0.485565D+01  0.383391D+01 -0.548766D+00  0.182812D+01
               216           217           218           219           220 
      1   0.198215D+01  0.174378D+02  0.662701D+01  0.603129D+01  0.136559D+02
      2  -0.101434D+01 -0.990417D+01 -0.509946D+01 -0.504061D+01 -0.907032D+01
      3  -0.967811D+00 -0.753367D+01 -0.152755D+01 -0.990686D+00 -0.458557D+01
      4  -0.386802D+01  0.978307D+01  0.130681D+02  0.604617D+01  0.186433D+02
      5  -0.234509D+01  0.126533D+02  0.827760D+01  0.871127D+01  0.157710D+02
      6   0.121754D+00  0.494166D+01  0.555519D+01  0.410941D+01  0.889247D+01
               221           222           223           224           225 
      1   0.780815D+01  0.453092D+01  0.416071D+01  0.274932D+01 -0.136737D+00
      2  -0.283231D+01 -0.648074D+01 -0.524163D+01 -0.396828D+01 -0.535193D+01
      3  -0.497585D+01  0.194983D+01  0.108093D+01  0.121897D+01  0.548866D+01
      4   0.214968D+02  0.978414D+01  0.646733D+01  0.635618D+01  0.679876D+01
      5   0.123323D+02  0.146676D+02  0.969855D+01  0.841195D+01  0.115010D+02
      6   0.126954D+02  0.870690D+01  0.514059D+01  0.678830D+01  0.531671D+01
               226           227           228           229           230 
      1  -0.581234D+00 -0.292509D+00  0.190141D+01 -0.979988D+00 -0.473396D+01
      2  -0.233075D+01 -0.172514D+01  0.230456D+01 -0.148581D+00 -0.339348D+01
      3   0.291199D+01  0.201765D+01 -0.420597D+01  0.112857D+01  0.812743D+01
      4   0.636684D+00  0.216527D+01  0.363388D+00  0.291424D+01 -0.232766D+01
      5  -0.127928D+01 -0.101632D+01  0.510085D+01 -0.233309D+01  0.298032D+01
      6  -0.114303D+01  0.157943D+00  0.729611D+00  0.313975D+00 -0.807644D+01
               231           232           233           234           235 
      1   0.857208D+01  0.827118D+00  0.603526D+01 -0.167742D+02  0.848195D+01
      2   0.798656D+01  0.782711D+00  0.579964D+01 -0.180105D+02 -0.631779D+01
      3  -0.165586D+02 -0.160983D+01 -0.118349D+02  0.347847D+02 -0.216416D+01
      4   0.325622D+01  0.887548D-01  0.175379D+01 -0.216027D+01  0.149614D+02
      5  -0.426032D+01  0.600843D+01 -0.112733D+01  0.632953D+01  0.190442D+02
      6   0.102589D+02  0.176022D+01  0.833147D+01 -0.727062D+01  0.112197D+02
               236           237           238           239           240 
      1   0.100144D+01 -0.192864D-01 -0.207428D+00 -0.537682D+01 -0.359781D+01
      2  -0.135827D+01 -0.522614D+01  0.129906D+00  0.558867D+01  0.190043D+00
      3   0.356826D+00  0.524543D+01  0.775220D-01 -0.211856D+00  0.340776D+01
      4   0.126439D+02  0.919233D+01  0.128595D+02  0.140200D+02  0.912096D+01
      5   0.119949D+02  0.160603D+02  0.123576D+02  0.111351D+02  0.105539D+02
      6   0.101031D+02  0.104207D+02  0.112190D+02  0.152540D+02  0.132456D+02
               241           242           243 
      1  -0.205809D+01 -0.273240D+01 -0.490688D+01
      2  -0.301457D+01 -0.272054D+00 -0.531858D+01
      3   0.507266D+01  0.300445D+01  0.102255D+02
      4   0.595048D+01  0.534271D+01  0.636361D+01
      5   0.107526D+02  0.737934D+01  0.122840D+02
      6   0.798341D+01  0.934186D+01  0.101515D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 21:44:55 2021, MaxMem= 17179869184 cpu:           21643.8 elap:            1808.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13976 -10.26259 -10.20007 -10.19885 -10.19268
 Alpha  occ. eigenvalues --  -10.19062 -10.18689 -10.18522 -10.18057 -10.17797
 Alpha  occ. eigenvalues --  -10.17485  -1.05093  -0.89189  -0.80271  -0.75498
 Alpha  occ. eigenvalues --   -0.72508  -0.69188  -0.67537  -0.64881  -0.58469
 Alpha  occ. eigenvalues --   -0.55911  -0.50804  -0.48999  -0.48592  -0.46148
 Alpha  occ. eigenvalues --   -0.44775  -0.43736  -0.42251  -0.41002  -0.40392
 Alpha  occ. eigenvalues --   -0.39278  -0.38748  -0.37921  -0.36838  -0.36108
 Alpha  occ. eigenvalues --   -0.35636  -0.35558  -0.34088  -0.32859  -0.31628
 Alpha  occ. eigenvalues --   -0.31181  -0.23838
 Alpha virt. eigenvalues --   -0.02163  -0.01381  -0.00136   0.00304   0.00594
 Alpha virt. eigenvalues --    0.01955   0.02276   0.02570   0.02907   0.03204
 Alpha virt. eigenvalues --    0.04686   0.04965   0.05247   0.05370   0.05599
 Alpha virt. eigenvalues --    0.06551   0.06928   0.07585   0.07665   0.08297
 Alpha virt. eigenvalues --    0.08782   0.09036   0.09372   0.09611   0.09923
 Alpha virt. eigenvalues --    0.10014   0.10401   0.10664   0.11314   0.11755
 Alpha virt. eigenvalues --    0.11877   0.12090   0.12369   0.12626   0.13256
 Alpha virt. eigenvalues --    0.13497   0.13771   0.13991   0.14399   0.14723
 Alpha virt. eigenvalues --    0.15421   0.15521   0.16218   0.16427   0.16807
 Alpha virt. eigenvalues --    0.17032   0.17382   0.17634   0.18066   0.18378
 Alpha virt. eigenvalues --    0.19099   0.19121   0.19816   0.20224   0.20515
 Alpha virt. eigenvalues --    0.20879   0.21378   0.21644   0.22162   0.23363
 Alpha virt. eigenvalues --    0.23514   0.23639   0.24678   0.24876   0.25495
 Alpha virt. eigenvalues --    0.26116   0.26749   0.27221   0.27785   0.28011
 Alpha virt. eigenvalues --    0.28205   0.29288   0.29785   0.30094   0.30546
 Alpha virt. eigenvalues --    0.31431   0.31887   0.32125   0.32862   0.33236
 Alpha virt. eigenvalues --    0.33872   0.34480   0.34851   0.35100   0.35805
 Alpha virt. eigenvalues --    0.36164   0.36852   0.37101   0.37944   0.38410
 Alpha virt. eigenvalues --    0.38735   0.38915   0.39179   0.39358   0.39944
 Alpha virt. eigenvalues --    0.40417   0.40767   0.41154   0.41907   0.42196
 Alpha virt. eigenvalues --    0.42529   0.42730   0.43508   0.44073   0.45092
 Alpha virt. eigenvalues --    0.45688   0.46418   0.47691   0.48156   0.48492
 Alpha virt. eigenvalues --    0.48991   0.49654   0.50098   0.50947   0.51367
 Alpha virt. eigenvalues --    0.52504   0.52788   0.53609   0.53917   0.54044
 Alpha virt. eigenvalues --    0.54398   0.54700   0.55210   0.56001   0.56154
 Alpha virt. eigenvalues --    0.56632   0.57041   0.57769   0.58654   0.59116
 Alpha virt. eigenvalues --    0.59608   0.60355   0.61176   0.61252   0.61715
 Alpha virt. eigenvalues --    0.62779   0.63029   0.64063   0.64220   0.64827
 Alpha virt. eigenvalues --    0.65155   0.65488   0.66150   0.66557   0.67141
 Alpha virt. eigenvalues --    0.67564   0.67935   0.68569   0.69496   0.70442
 Alpha virt. eigenvalues --    0.70788   0.71720   0.71945   0.72317   0.72916
 Alpha virt. eigenvalues --    0.73469   0.74283   0.74622   0.75263   0.75722
 Alpha virt. eigenvalues --    0.76430   0.77321   0.78346   0.78660   0.79310
 Alpha virt. eigenvalues --    0.79860   0.80934   0.81141   0.82150   0.82648
 Alpha virt. eigenvalues --    0.83096   0.84763   0.85771   0.86453   0.86904
 Alpha virt. eigenvalues --    0.87625   0.88622   0.89603   0.90199   0.91448
 Alpha virt. eigenvalues --    0.93152   0.93735   0.95205   0.96193   0.96347
 Alpha virt. eigenvalues --    0.97241   0.97516   0.99270   0.99694   1.00294
 Alpha virt. eigenvalues --    1.01572   1.03725   1.04518   1.05715   1.06028
 Alpha virt. eigenvalues --    1.07639   1.08880   1.10412   1.10862   1.12288
 Alpha virt. eigenvalues --    1.12674   1.13844   1.15348   1.16110   1.18383
 Alpha virt. eigenvalues --    1.20317   1.20832   1.22111   1.22585   1.24380
 Alpha virt. eigenvalues --    1.27575   1.27630   1.28680   1.30668   1.31360
 Alpha virt. eigenvalues --    1.33332   1.34537   1.37199   1.37709   1.38310
 Alpha virt. eigenvalues --    1.39599   1.41308   1.43367   1.44533   1.45554
 Alpha virt. eigenvalues --    1.47723   1.49810   1.50850   1.51699   1.52180
 Alpha virt. eigenvalues --    1.53557   1.55078   1.56701   1.57782   1.58411
 Alpha virt. eigenvalues --    1.59571   1.61738   1.62825   1.63857   1.64018
 Alpha virt. eigenvalues --    1.65872   1.66835   1.67552   1.67966   1.68753
 Alpha virt. eigenvalues --    1.70133   1.71883   1.71954   1.72850   1.75294
 Alpha virt. eigenvalues --    1.76040   1.77051   1.77184   1.78481   1.79425
 Alpha virt. eigenvalues --    1.82076   1.82535   1.83193   1.84113   1.84854
 Alpha virt. eigenvalues --    1.85583   1.86613   1.88947   1.89203   1.89859
 Alpha virt. eigenvalues --    1.91437   1.92890   1.93409   1.94867   1.95956
 Alpha virt. eigenvalues --    1.96430   1.98572   1.98782   2.00618   2.01565
 Alpha virt. eigenvalues --    2.01915   2.02875   2.04715   2.05295   2.07290
 Alpha virt. eigenvalues --    2.07987   2.10955   2.11285   2.12990   2.13066
 Alpha virt. eigenvalues --    2.14486   2.16034   2.17844   2.19611   2.20300
 Alpha virt. eigenvalues --    2.22125   2.22481   2.23517   2.25955   2.26267
 Alpha virt. eigenvalues --    2.26761   2.28140   2.30249   2.30682   2.32026
 Alpha virt. eigenvalues --    2.33476   2.34976   2.35467   2.35822   2.37227
 Alpha virt. eigenvalues --    2.38761   2.40181   2.42306   2.43187   2.45307
 Alpha virt. eigenvalues --    2.46697   2.47332   2.49135   2.50767   2.51951
 Alpha virt. eigenvalues --    2.52984   2.53700   2.55031   2.57242   2.57945
 Alpha virt. eigenvalues --    2.59592   2.60827   2.61974   2.63168   2.65096
 Alpha virt. eigenvalues --    2.66212   2.67482   2.70029   2.72041   2.72820
 Alpha virt. eigenvalues --    2.78145   2.81706   2.83029   2.84343   2.85544
 Alpha virt. eigenvalues --    2.86771   2.90503   2.92846   2.97932   2.98843
 Alpha virt. eigenvalues --    3.11731   3.13662   3.19895   3.25305   3.27477
 Alpha virt. eigenvalues --    3.39067   3.51425   3.55154   3.59157   3.69671
 Alpha virt. eigenvalues --    3.81708   4.00549   4.11314   4.49708   4.95079
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   11.144002  -0.567844  -2.641390   0.168119   0.703900   0.053985
     2  C   -0.567844   8.723607  -0.429759   0.094273   0.134205   1.125385
     3  C   -2.641390  -0.429759  13.490796  -0.863884  -3.087838  -1.948346
     4  O    0.168119   0.094273  -0.863884   9.021712   0.043972   0.061368
     5  C    0.703900   0.134205  -3.087838   0.043972  16.663260  -3.720895
     6  C    0.053985   1.125385  -1.948346   0.061368  -3.720895  20.207315
     7  C    0.894768  -2.375402  -0.086684   0.012073   0.536210  -2.699775
     8  C   -1.010753  -0.339724  -0.093538  -0.101429  -0.164698   0.384476
     9  H    0.012932  -0.937547  -0.310088   0.037265   0.170999  -0.230907
    10  H    0.187180  -0.768278   0.452623  -0.013952  -0.189550  -0.047081
    11  C   -0.152631  -0.096386   0.051153   0.036722  -1.164241  -0.807835
    12  C   -0.452773   0.098132   0.223443   0.164083  -2.928092   0.866700
    13  C   -1.062200  -0.905095   0.129860   0.019812   0.202842  -4.499011
    14  H   -0.342453  -0.015601   0.475282  -0.004981   0.371693  -4.017123
    15  H   -0.003225   0.315414  -0.207855  -0.000913   0.379030   0.034273
    16  H   -0.390770   0.652256   0.351078  -0.009125  -0.399700   0.024606
    17  H    0.212196  -0.009368   0.152891   0.008894  -0.036172   0.132022
    18  H    0.252445   0.170658  -0.360187   0.020082   0.058867   0.035888
    19  H    0.091678  -0.144594   0.207525  -0.037883   0.045485  -0.191096
    20  H   -0.135894   0.091007  -0.066862   0.034839   0.798862  -0.134082
    21  H    0.037064   0.004200   0.112350  -0.001288  -0.368846   0.026998
    22  H    0.028872  -0.075979  -0.003918  -0.012643   0.086211  -0.015607
    23  H   -0.225443   0.025033  -0.344332   0.077946  -0.021451  -0.016488
    24  H    0.206344  -0.117421  -0.033321  -0.013310   0.334552  -0.217091
    25  H   -0.137033   0.103096   0.517298  -0.066465  -0.043404  -0.114882
    26  H    0.314663   0.148639  -0.172612  -0.013195  -0.148051   0.374674
    27  H   -0.046019  -0.136216   0.233388   0.001007   0.273787  -0.427778
               7          8          9         10         11         12
     1  C    0.894768  -1.010753   0.012932   0.187180  -0.152631  -0.452773
     2  C   -2.375402  -0.339724  -0.937547  -0.768278  -0.096386   0.098132
     3  C   -0.086684  -0.093538  -0.310088   0.452623   0.051153   0.223443
     4  O    0.012073  -0.101429   0.037265  -0.013952   0.036722   0.164083
     5  C    0.536210  -0.164698   0.170999  -0.189550  -1.164241  -2.928092
     6  C   -2.699775   0.384476  -0.230907  -0.047081  -0.807835   0.866700
     7  C    9.297813   0.024686   0.303497   0.296802  -0.181908  -0.202660
     8  C    0.024686   6.711994   0.127085  -0.325564   0.022728  -0.134797
     9  H    0.303497   0.127085   3.352135  -0.983559   0.076610  -0.078819
    10  H    0.296802  -0.325564  -0.983559   3.257654  -0.041366   0.098986
    11  C   -0.181908   0.022728   0.076610  -0.041366   6.506461  -0.581698
    12  C   -0.202660  -0.134797  -0.078819   0.098986  -0.581698   7.402293
    13  C    0.099508  -0.480252   0.264561  -0.092508   0.621536  -0.361402
    14  H    0.581265  -0.035116  -0.016258   0.025466   0.072597  -0.002286
    15  H   -0.630742   0.012744   0.240346  -0.500430  -0.001599  -0.065456
    16  H   -1.087387  -0.037339  -0.444229   0.268579   0.039477   0.007601
    17  H   -0.083883  -0.196054  -0.005034   0.027558  -0.026322   0.003920
    18  H    0.015614  -0.308190   0.043148  -0.068983   0.004892   0.007549
    19  H    0.093712   0.295049  -0.038941  -0.006328   0.020873  -0.036779
    20  H   -0.019658  -0.009463   0.011422  -0.000403  -0.140409  -0.211114
    21  H   -0.066110  -0.009543   0.005445  -0.001889   0.097315   0.259682
    22  H    0.106110   0.011807  -0.003266  -0.003362  -0.069499   0.031452
    23  H    0.083620  -0.074336  -0.059154   0.033404  -0.028769   0.269836
    24  H    0.114736   0.019708   0.012875  -0.012575   0.061255  -0.395275
    25  H   -0.107770   0.006220  -0.006994   0.012957   0.002312   0.076509
    26  H   -0.105878  -0.091466  -0.013517   0.045496  -0.101297   0.125795
    27  H    0.086716  -0.042730   0.039350  -0.061205   0.040628  -0.046906
              13         14         15         16         17         18
     1  C   -1.062200  -0.342453  -0.003225  -0.390770   0.212196   0.252445
     2  C   -0.905095  -0.015601   0.315414   0.652256  -0.009368   0.170658
     3  C    0.129860   0.475282  -0.207855   0.351078   0.152891  -0.360187
     4  O    0.019812  -0.004981  -0.000913  -0.009125   0.008894   0.020082
     5  C    0.202842   0.371693   0.379030  -0.399700  -0.036172   0.058867
     6  C   -4.499011  -4.017123   0.034273   0.024606   0.132022   0.035888
     7  C    0.099508   0.581265  -0.630742  -1.087387  -0.083883   0.015614
     8  C   -0.480252  -0.035116   0.012744  -0.037339  -0.196054  -0.308190
     9  H    0.264561  -0.016258   0.240346  -0.444229  -0.005034   0.043148
    10  H   -0.092508   0.025466  -0.500430   0.268579   0.027558  -0.068983
    11  C    0.621536   0.072597  -0.001599   0.039477  -0.026322   0.004892
    12  C   -0.361402  -0.002286  -0.065456   0.007601   0.003920   0.007549
    13  C   10.820332   0.692343   0.168075   0.135097  -0.076875   0.177298
    14  H    0.692343   4.231812  -0.133109   0.101475   0.003660  -0.001527
    15  H    0.168075  -0.133109   2.971892  -1.002175  -0.016619   0.015083
    16  H    0.135097   0.101475  -1.002175   3.326369   0.006136  -0.011575
    17  H   -0.076875   0.003660  -0.016619   0.006136   2.038302  -0.503988
    18  H    0.177298  -0.001527   0.015083  -0.011575  -0.503988   2.182890
    19  H   -0.050190  -0.004850   0.004312   0.002642  -0.378082  -0.456604
    20  H   -0.012834  -0.015886  -0.012012   0.012421   0.012374   0.002307
    21  H   -0.020822   0.027872   0.005733  -0.020382  -0.010481   0.000410
    22  H    0.076383  -0.025015   0.000900   0.020006   0.002997  -0.000286
    23  H    0.192422   0.016995  -0.010897   0.071319  -0.006421  -0.000059
    24  H    0.055476  -0.016098   0.023760  -0.039112  -0.000048   0.000869
    25  H   -0.097209   0.019477  -0.016785   0.025809   0.006533  -0.000507
    26  H   -0.942442  -0.000493   0.057750  -0.030467  -0.095021   0.055284
    27  H   -0.490633  -0.007556  -0.094983   0.070490   0.065578  -0.081941
              19         20         21         22         23         24
     1  C    0.091678  -0.135894   0.037064   0.028872  -0.225443   0.206344
     2  C   -0.144594   0.091007   0.004200  -0.075979   0.025033  -0.117421
     3  C    0.207525  -0.066862   0.112350  -0.003918  -0.344332  -0.033321
     4  O   -0.037883   0.034839  -0.001288  -0.012643   0.077946  -0.013310
     5  C    0.045485   0.798862  -0.368846   0.086211  -0.021451   0.334552
     6  C   -0.191096  -0.134082   0.026998  -0.015607  -0.016488  -0.217091
     7  C    0.093712  -0.019658  -0.066110   0.106110   0.083620   0.114736
     8  C    0.295049  -0.009463  -0.009543   0.011807  -0.074336   0.019708
     9  H   -0.038941   0.011422   0.005445  -0.003266  -0.059154   0.012875
    10  H   -0.006328  -0.000403  -0.001889  -0.003362   0.033404  -0.012575
    11  C    0.020873  -0.140409   0.097315  -0.069499  -0.028769   0.061255
    12  C   -0.036779  -0.211114   0.259682   0.031452   0.269836  -0.395275
    13  C   -0.050190  -0.012834  -0.020822   0.076383   0.192422   0.055476
    14  H   -0.004850  -0.015886   0.027872  -0.025015   0.016995  -0.016098
    15  H    0.004312  -0.012012   0.005733   0.000900  -0.010897   0.023760
    16  H    0.002642   0.012421  -0.020382   0.020006   0.071319  -0.039112
    17  H   -0.378082   0.012374  -0.010481   0.002997  -0.006421  -0.000048
    18  H   -0.456604   0.002307   0.000410  -0.000286  -0.000059   0.000869
    19  H    1.758193  -0.008807   0.003990   0.002047  -0.004608   0.002584
    20  H   -0.008807   2.419838  -0.531287  -0.555342  -0.077323   0.021254
    21  H    0.003990  -0.531287   2.146533  -0.538596   0.042896   0.031893
    22  H    0.002047  -0.555342  -0.538596   2.243863   0.041064  -0.078357
    23  H   -0.004608  -0.077323   0.042896   0.041064   2.491451  -0.601348
    24  H    0.002584   0.021254   0.031893  -0.078357  -0.601348   2.412167
    25  H   -0.005259   0.050968  -0.051018  -0.017368  -0.602880  -0.495769
    26  H    0.004877  -0.182171   0.030896   0.021811   0.042874  -0.001033
    27  H   -0.004097   0.065566  -0.010362   0.000911  -0.017966   0.004148
              25         26         27
     1  C   -0.137033   0.314663  -0.046019
     2  C    0.103096   0.148639  -0.136216
     3  C    0.517298  -0.172612   0.233388
     4  O   -0.066465  -0.013195   0.001007
     5  C   -0.043404  -0.148051   0.273787
     6  C   -0.114882   0.374674  -0.427778
     7  C   -0.107770  -0.105878   0.086716
     8  C    0.006220  -0.091466  -0.042730
     9  H   -0.006994  -0.013517   0.039350
    10  H    0.012957   0.045496  -0.061205
    11  C    0.002312  -0.101297   0.040628
    12  C    0.076509   0.125795  -0.046906
    13  C   -0.097209  -0.942442  -0.490633
    14  H    0.019477  -0.000493  -0.007556
    15  H   -0.016785   0.057750  -0.094983
    16  H    0.025809  -0.030467   0.070490
    17  H    0.006533  -0.095021   0.065578
    18  H   -0.000507   0.055284  -0.081941
    19  H   -0.005259   0.004877  -0.004097
    20  H    0.050968  -0.182171   0.065566
    21  H   -0.051018   0.030896  -0.010362
    22  H   -0.017368   0.021811   0.000911
    23  H   -0.602880   0.042874  -0.017966
    24  H   -0.495769  -0.001033   0.004148
    25  H    2.183084  -0.020188   0.005154
    26  H   -0.020188   3.590956  -1.256328
    27  H    0.005154  -1.256328   3.439361
 Mulliken charges:
               1
     1  C   -1.139721
     2  C    1.233311
     3  C    0.252928
     4  O   -0.663098
     5  C   -2.530937
     6  C    1.760305
     7  C    1.100728
     8  C    1.838497
     9  H   -0.569358
    10  H   -0.589672
    11  C    1.739401
    12  C    1.862075
    13  C    1.435928
    14  H   -0.981584
    15  H   -0.532512
    16  H   -0.643102
    17  H   -0.228695
    18  H   -0.249438
    19  H   -0.164847
    20  H   -0.407311
    21  H   -0.202653
    22  H   -0.275194
    23  H   -0.297384
    24  H   -0.280865
    25  H   -0.225883
    26  H   -0.639556
    27  H   -0.601363
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -1.139721
     2  C    0.074282
     3  C    0.252928
     4  O   -0.663098
     5  C   -2.530937
     6  C    0.778722
     7  C   -0.074887
     8  C    1.195516
    11  C    0.854243
    12  C    1.057943
    13  C    0.195009
 Electronic spatial extent (au):  <R**2>=           1535.5188
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.1301    Y=              2.6966    Z=              1.3234  Tot=              3.0067
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -67.2686   YY=            -75.2836   ZZ=            -69.5975
   XY=              0.2066   XZ=             -0.1409   YZ=             -3.3985
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.4479   YY=             -4.5670   ZZ=              1.1191
   XY=              0.2066   XZ=             -0.1409   YZ=             -3.3985
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.7564  YYY=              9.3069  ZZZ=             -2.9847  XYY=              0.8194
  XXY=             -0.6759  XXZ=             -0.7505  XZZ=              0.5654  YZZ=              0.4636
  YYZ=              8.3279  XYZ=              0.3465
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1042.3213 YYYY=           -687.3511 ZZZZ=           -436.1043 XXXY=              5.5602
 XXXZ=             -1.0420 YYYX=              3.3716 YYYZ=             -7.8747 ZZZX=             -0.6365
 ZZZY=              0.5422 XXYY=           -276.7570 XXZZ=           -250.5363 YYZZ=           -187.4560
 XXYZ=              7.8535 YYXZ=              1.7546 ZZXY=             -2.4057
 N-N= 6.829452507973D+02 E-N=-2.447677640955D+03  KE= 4.632087213601D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 21:44:55 2021, MaxMem= 17179869184 cpu:               3.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.82447321D-02 1.04099750D+00 5.10077616D-01
 Polarizability= 1.21387498D+02 3.37562485D-01 1.11184692D+02
                -3.60707790D-01 3.24921191D-01 1.02705121D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2977    0.2983        0.1070    0.1054
 2     -0.2977   -0.2983       -0.3138   -0.3153       -5.5572   -5.5579
 3     -0.1070   -0.1054       10.2519   10.2518        0.3161    0.3153
 4      0.3138    0.3153       -0.0000    0.0000       -0.1076   -0.1054
 5     -4.6948   -4.6939        0.1076    0.1054        0.2958    0.2983
 6     -0.3161   -0.3153       -0.2958   -0.2983        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8950   -0.8950        0.3163    0.3163
 2      0.9458    0.9458       -0.0000    0.0000        0.3163    0.3163
 3      0.9458    0.9458       -0.8950   -0.8950        0.0000    0.0000
 4     -0.8950   -0.8950       -0.9458   -0.9458      -16.6736  -16.6736
 5     -0.3163   -0.3163       30.7554   30.7554        0.9458    0.9458
 6    -14.0818  -14.0818        0.3163    0.3163        0.8950    0.8950
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0523    0.0000       -1.2399   -1.1933       -0.5056   -0.4217
 2      1.2375    1.1933        1.2666    1.2611       22.1569   22.2315
 3      0.4510    0.4217      -41.0992  -41.0072       -1.2750   -1.2611
 4     -1.2312   -1.2611       -0.0191    0.0000        0.3525    0.4217
 5     18.7648   18.7757       -0.3813   -0.4217       -1.1976   -1.1933
 6      1.3239    1.2611        1.2061    1.1933       -0.0175    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1236    0.0000        3.4014    3.4674       -0.3447   -0.3367
 2     -3.5119   -3.4674       -8.3715   -8.4325        4.0760    4.0351
 3      0.3736    0.3367       -8.3391   -8.3631        8.2983    8.4325
 4      8.3855    8.4325        0.0753    0.0000        0.4246    0.3367
 5      4.2542    4.3280       -0.3154   -0.3367        3.5947    3.4674
 6     -8.3777   -8.4325       -3.4447   -3.4674       -0.1099    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     16.1877   16.2673        7.5342    7.5790       23.7218   23.7048
 2     24.8724   25.0453        9.4251    9.4719       23.8538   23.7048
 3     24.9884   25.0453        7.6271    7.5790       25.8678   25.8006
 4     -1.9430   -1.8930       -8.7060   -8.7780       -3.4199   -3.5549
 5      2.0398    2.0958        1.1288    1.1355        8.7191    8.7780
 6      2.4553    2.4194       -2.0763   -2.0958        1.9082    1.8930
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.4005   -0.0007   -0.0006   -0.0003    3.7544   15.3380
 Low frequencies ---   85.8825  183.8728  192.4763
 Diagonal vibrational polarizability:
        6.0533555       4.7483213       9.1681537
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     85.8818               183.8699               192.4735
 Red. masses --      3.9284                 1.5182                 1.1173
 Frc consts  --      0.0171                 0.0302                 0.0244
 IR Inten    --      2.3323                 1.0316                 0.0375
 RamAct Fr= 1--      0.2004                 0.4209                 0.0854
  Dep-P Fr= 1--      0.7363                 0.7319                 0.6634
  Dep-U Fr= 1--      0.8481                 0.8452                 0.7976
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0283                 0.0593                 0.0113
 AlphaG Fr= 1--     -0.0013                 0.0004                 0.0026
 Gamma2 Fr= 1--      0.1394                 0.1815                -0.0897
 Delta2 Fr= 1--      0.0280                 0.1371                -0.0774
 Raman1 Fr= 1--       0.802                  1.683                  0.341
 ROA1   Fr= 1--      14.283                 21.816                -11.087
 CID1   Fr= 1--      17.815                 12.959                -32.468
 Raman2 Fr= 1--       0.340                  0.711                  0.136
 ROA2   Fr= 1--       3.123                  3.260                 -1.534
 CID2   Fr= 1--       9.185                  4.583                -11.263
 Raman3 Fr= 1--       0.680                  1.423                  0.272
 ROA3   Fr= 1--      14.283                 21.816                -11.087
 CID3   Fr= 1--      21.005                 15.333                -40.707
 RC180  Fr= 1--       0.696                  0.690                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.06    -0.00   0.01  -0.02     0.00   0.00  -0.01
     2   6    -0.09   0.05  -0.03     0.05   0.03   0.02     0.04   0.02   0.03
     3   6     0.00  -0.05   0.06    -0.01   0.01  -0.02    -0.00   0.00  -0.00
     4   8    -0.02  -0.15   0.25    -0.01  -0.06   0.11     0.00   0.01  -0.02
     5   6     0.01   0.00  -0.01    -0.01   0.02  -0.04    -0.00  -0.01   0.02
     6   6     0.01  -0.03   0.06    -0.00   0.02  -0.03     0.00  -0.01  -0.00
     7   6    -0.02   0.05   0.11     0.03   0.02  -0.01    -0.02  -0.01  -0.02
     8   6     0.05   0.07  -0.18    -0.02  -0.01  -0.00    -0.00  -0.01  -0.03
     9   1    -0.21   0.08  -0.03     0.10   0.07   0.00     0.13   0.05   0.02
    10   1    -0.07   0.03  -0.14     0.05   0.03   0.08     0.02   0.05   0.13
    11   6    -0.13   0.04  -0.09     0.06  -0.05  -0.03    -0.02   0.03   0.03
    12   6     0.14   0.05  -0.10    -0.07   0.03   0.02     0.00  -0.03   0.00
    13   6     0.03  -0.06  -0.00    -0.02  -0.00  -0.02    -0.00  -0.01  -0.00
    14   1     0.02  -0.09   0.12    -0.01   0.02  -0.03     0.00  -0.00  -0.00
    15   1     0.04  -0.01   0.18     0.01   0.02   0.01    -0.08   0.03  -0.06
    16   1    -0.05   0.16   0.18     0.06   0.03  -0.03    -0.03  -0.09  -0.05
    17   1     0.13   0.02  -0.22    -0.18  -0.22  -0.26    -0.15  -0.27  -0.34
    18   1     0.04   0.09  -0.19    -0.09  -0.09   0.35    -0.08  -0.09   0.37
    19   1     0.03   0.14  -0.22     0.20   0.26  -0.09     0.23   0.33  -0.15
    20   1    -0.24   0.10  -0.01     0.17  -0.29  -0.16    -0.10   0.27   0.14
    21   1    -0.06   0.02  -0.09    -0.11   0.06  -0.14     0.16  -0.08   0.15
    22   1    -0.17   0.05  -0.24     0.18   0.01   0.21    -0.14  -0.04  -0.17
    23   1     0.26  -0.03  -0.07    -0.18   0.30   0.08     0.05  -0.26  -0.08
    24   1     0.19   0.14  -0.20    -0.22  -0.20   0.14     0.14   0.16  -0.07
    25   1     0.08   0.09  -0.11     0.13  -0.02  -0.14    -0.18   0.00   0.16
    26   1     0.05  -0.13  -0.05    -0.03   0.00  -0.02    -0.01  -0.01  -0.00
    27   1     0.03  -0.09   0.03    -0.01  -0.01  -0.01     0.00  -0.01   0.00
                      4                      5                      6
                      A                      A                      A
 Frequencies --    201.9105               211.2997               230.9026
 Red. masses --      1.7345                 1.7310                 1.2160
 Frc consts  --      0.0417                 0.0455                 0.0382
 IR Inten    --      0.6718                 0.6538                 0.8343
 RamAct Fr= 1--      0.7551                 0.3101                 0.2356
  Dep-P Fr= 1--      0.7481                 0.7493                 0.6196
  Dep-U Fr= 1--      0.8559                 0.8567                 0.7652
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0006
 Beta2  Fr= 1--      0.1077                 0.0443                 0.0300
 AlphaG Fr= 1--     -0.0004                 0.0001                 0.0009
 Gamma2 Fr= 1--     -0.0770                 0.1813                -0.0123
 Delta2 Fr= 1--     -0.1147                 0.0275                -0.0944
 Raman1 Fr= 1--       3.021                  1.240                  0.942
 ROA1   Fr= 1--     -11.062                 18.289                 -4.202
 CID1   Fr= 1--      -3.662                 14.746                 -4.459
 Raman2 Fr= 1--       1.293                  0.531                  0.361
 ROA2   Fr= 1--      -0.931                  4.132                  0.460
 CID2   Fr= 1--      -0.720                  7.777                  1.276
 Raman3 Fr= 1--       2.585                  1.063                  0.721
 ROA3   Fr= 1--     -11.062                 18.289                 -4.202
 CID3   Fr= 1--      -4.279                 17.212                 -5.827
 RC180  Fr= 1--       0.712                  0.713                  0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01    -0.01  -0.03   0.02    -0.00  -0.00  -0.00
     2   6     0.00  -0.01  -0.02    -0.10  -0.10  -0.08    -0.04  -0.04  -0.05
     3   6     0.00  -0.00  -0.02     0.00  -0.04   0.01    -0.00   0.01   0.00
     4   8     0.01  -0.04   0.06    -0.00   0.01  -0.08    -0.03   0.02   0.01
     5   6     0.00   0.00  -0.02     0.01  -0.01   0.01     0.01   0.02   0.00
     6   6    -0.00  -0.01  -0.01     0.01  -0.01   0.02     0.01   0.02   0.01
     7   6    -0.02  -0.02  -0.04     0.01  -0.02   0.01     0.04   0.02   0.02
     8   6     0.00   0.01   0.06     0.07   0.09   0.08    -0.01  -0.00   0.04
     9   1     0.02  -0.02  -0.02    -0.29  -0.18  -0.03    -0.17  -0.08  -0.03
    10   1    -0.01   0.01  -0.01    -0.07  -0.13  -0.30    -0.01  -0.07  -0.18
    11   6     0.05  -0.12  -0.07    -0.03   0.03   0.01     0.03  -0.06  -0.03
    12   6    -0.05   0.16   0.05     0.03   0.05   0.01    -0.00   0.01   0.01
    13   6    -0.00   0.01  -0.02     0.01  -0.00   0.01     0.01   0.01  -0.00
    14   1    -0.01  -0.00  -0.02     0.01  -0.01   0.01     0.02   0.03   0.01
    15   1    -0.04   0.00  -0.06     0.11  -0.08   0.04     0.12  -0.04   0.06
    16   1    -0.03  -0.05  -0.04    -0.01   0.08   0.06     0.04   0.11   0.05
    17   1     0.01   0.09   0.14     0.03  -0.08  -0.12    -0.06  -0.03   0.01
    18   1     0.00   0.04  -0.00    -0.07   0.16   0.40    -0.03  -0.01   0.13
    19   1     0.00  -0.09   0.11     0.36   0.33   0.03     0.06   0.03   0.04
    20   1     0.05  -0.09  -0.06     0.03  -0.18  -0.07    -0.09   0.31   0.13
    21   1     0.18  -0.14  -0.12    -0.25   0.14  -0.06     0.45  -0.25   0.06
    22   1    -0.03  -0.24  -0.07     0.12   0.16   0.16    -0.24  -0.31  -0.33
    23   1    -0.01  -0.15  -0.07     0.07   0.03   0.02    -0.06   0.24   0.09
    24   1     0.26   0.51   0.09     0.08   0.10   0.01    -0.16  -0.19   0.08
    25   1    -0.47   0.31   0.23    -0.03   0.09  -0.01     0.20  -0.04  -0.13
    26   1     0.01   0.02  -0.01     0.02   0.01   0.02     0.02   0.02   0.00
    27   1     0.00   0.02  -0.03     0.02   0.00  -0.02     0.02   0.01  -0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    261.9692               294.6577               301.5279
 Red. masses --      2.2925                 3.5742                 2.4436
 Frc consts  --      0.0927                 0.1828                 0.1309
 IR Inten    --      0.2854                 5.0270                 0.6846
 RamAct Fr= 1--      1.8966                 1.0618                 0.7558
  Dep-P Fr= 1--      0.4033                 0.6197                 0.7356
  Dep-U Fr= 1--      0.5748                 0.7652                 0.8477
 Alpha2 Fr= 1--      0.0139                 0.0025                 0.0002
 Beta2  Fr= 1--      0.1817                 0.1354                 0.1068
 AlphaG Fr= 1--     -0.0026                 0.0018                 0.0000
 Gamma2 Fr= 1--      0.1755                 0.0466                -0.7700
 Delta2 Fr= 1--      0.0857                 0.1689                -0.0706
 Raman1 Fr= 1--       7.586                  4.247                  3.023
 ROA1   Fr= 1--      19.591                  9.875                -76.180
 CID1   Fr= 1--       2.582                  2.325                -25.198
 Raman2 Fr= 1--       2.180                  1.625                  1.281
 ROA2   Fr= 1--       3.526                 -0.234                -17.915
 CID2   Fr= 1--       1.617                 -0.144                -13.981
 Raman3 Fr= 1--       4.361                  3.250                  2.563
 ROA3   Fr= 1--      19.591                  9.875                -76.180
 CID3   Fr= 1--       4.492                  3.039                -29.726
 RC180  Fr= 1--       0.150                  0.530                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.04     0.02   0.02   0.05    -0.02   0.02  -0.09
     2   6     0.08   0.01   0.04    -0.03  -0.05  -0.04    -0.05   0.08  -0.05
     3   6    -0.01  -0.05  -0.06     0.07  -0.01   0.02     0.01  -0.02  -0.08
     4   8    -0.05  -0.07  -0.01     0.32  -0.02  -0.00     0.07  -0.07  -0.00
     5   6    -0.02  -0.01  -0.03    -0.02  -0.03  -0.01     0.01  -0.02  -0.06
     6   6     0.01  -0.04  -0.03    -0.02  -0.02  -0.02    -0.01  -0.03  -0.01
     7   6     0.05  -0.02   0.00    -0.00  -0.03  -0.02     0.01   0.10   0.11
     8   6     0.14   0.14   0.03    -0.05  -0.08  -0.07    -0.09  -0.05   0.11
     9   1     0.19   0.08   0.01    -0.13  -0.14   0.00    -0.19   0.16  -0.06
    10   1     0.07   0.01   0.18    -0.03  -0.04  -0.17    -0.03   0.05  -0.14
    11   6    -0.05   0.09   0.02    -0.14   0.09  -0.02     0.10   0.09   0.08
    12   6    -0.12   0.03   0.05    -0.12   0.10   0.09    -0.03  -0.03  -0.03
    13   6    -0.04  -0.10  -0.03    -0.01   0.02   0.03    -0.03  -0.07  -0.06
    14   1     0.02  -0.03  -0.03    -0.04  -0.02  -0.05    -0.04  -0.10   0.03
    15   1     0.00  -0.01   0.02     0.03  -0.06   0.00     0.09  -0.01   0.27
    16   1     0.07  -0.03  -0.02     0.01   0.01  -0.01     0.03   0.28   0.17
    17   1     0.32   0.24   0.18    -0.09  -0.15  -0.15    -0.28   0.05   0.19
    18   1     0.04   0.35  -0.10     0.03  -0.21  -0.07    -0.08  -0.10   0.19
    19   1     0.19   0.03   0.10    -0.17  -0.01  -0.13     0.02  -0.19   0.21
    20   1    -0.13   0.27   0.10    -0.25   0.17   0.08     0.18   0.22   0.06
    21   1     0.02   0.01   0.14    -0.14   0.06   0.06     0.05   0.04   0.26
    22   1    -0.10   0.10  -0.16    -0.14   0.16  -0.20     0.14   0.14   0.08
    23   1    -0.24   0.18   0.05    -0.25   0.34   0.13    -0.01  -0.18  -0.10
    24   1    -0.17  -0.09   0.21    -0.15  -0.03   0.33     0.08   0.09  -0.06
    25   1    -0.07   0.02  -0.01    -0.09   0.14  -0.06    -0.16  -0.01   0.08
    26   1    -0.09  -0.15  -0.09    -0.03   0.02   0.02    -0.00  -0.13  -0.12
    27   1    -0.03  -0.15   0.06    -0.06   0.05   0.05    -0.02  -0.10  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    328.3508               373.0568               425.6878
 Red. masses --      2.3241                 2.1755                 2.9510
 Frc consts  --      0.1476                 0.1784                 0.3151
 IR Inten    --      0.1815                 0.3341                 0.7580
 RamAct Fr= 1--      0.2696                 1.1181                 1.7351
  Dep-P Fr= 1--      0.5933                 0.3054                 0.6552
  Dep-U Fr= 1--      0.7447                 0.4679                 0.7917
 Alpha2 Fr= 1--      0.0008                 0.0113                 0.0029
 Beta2  Fr= 1--      0.0335                 0.0872                 0.2289
 AlphaG Fr= 1--     -0.0030                 0.0380                 0.0091
 Gamma2 Fr= 1--      0.0669                 0.2375                 0.3715
 Delta2 Fr= 1--     -0.0165                 0.0415                 0.1262
 Raman1 Fr= 1--       1.078                  4.473                  6.940
 ROA1   Fr= 1--       5.891                 24.127                 39.698
 CID1   Fr= 1--       5.463                  5.394                  5.720
 Raman2 Fr= 1--       0.402                  1.046                  2.747
 ROA2   Fr= 1--       1.736                  5.368                  7.906
 CID2   Fr= 1--       4.323                  5.130                  2.878
 Raman3 Fr= 1--       0.803                  2.093                  5.495
 ROA3   Fr= 1--       5.891                 24.127                 39.698
 CID3   Fr= 1--       7.335                 11.529                  7.225
 RC180  Fr= 1--       0.489                 -0.064                  0.583
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03   0.11    -0.04  -0.04   0.03    -0.05   0.04  -0.06
     2   6    -0.02  -0.09   0.05    -0.05  -0.01   0.05     0.10   0.03  -0.03
     3   6    -0.01  -0.00   0.02    -0.00  -0.05  -0.02    -0.04  -0.05   0.01
     4   8     0.02  -0.00   0.01     0.01  -0.05  -0.03     0.03  -0.03  -0.03
     5   6    -0.01   0.02  -0.07     0.01  -0.02  -0.03    -0.07  -0.11   0.11
     6   6    -0.04   0.04  -0.06    -0.04  -0.03  -0.01    -0.04   0.00  -0.09
     7   6     0.11   0.03   0.04    -0.12  -0.05  -0.04     0.14   0.04  -0.02
     8   6     0.01   0.05  -0.12    -0.01  -0.00  -0.01    -0.07   0.06  -0.02
     9   1    -0.13  -0.17   0.09     0.10   0.01   0.03     0.14   0.08  -0.05
    10   1     0.04  -0.19  -0.07    -0.08   0.04   0.19     0.14  -0.05   0.05
    11   6     0.13   0.01   0.02     0.12   0.05   0.09    -0.10  -0.12   0.15
    12   6    -0.05  -0.02  -0.05     0.11   0.16  -0.05     0.12   0.04   0.05
    13   6    -0.13   0.01   0.08    -0.03   0.00   0.01    -0.07   0.05  -0.07
    14   1    -0.10   0.06  -0.13    -0.08  -0.07  -0.02    -0.04   0.07  -0.15
    15   1     0.22  -0.07   0.15    -0.21   0.03  -0.15     0.19  -0.09   0.22
    16   1     0.20   0.18   0.02    -0.15  -0.18  -0.07     0.29   0.30  -0.05
    17   1     0.24  -0.05  -0.19     0.04  -0.02  -0.02    -0.06   0.08  -0.01
    18   1     0.02   0.09  -0.25    -0.02   0.02  -0.03    -0.09   0.09  -0.02
    19   1    -0.15   0.18  -0.22    -0.03   0.02  -0.03    -0.04   0.05  -0.01
    20   1     0.23   0.09  -0.02     0.22   0.25   0.07    -0.10  -0.14   0.15
    21   1     0.18  -0.04   0.10     0.17  -0.05   0.28    -0.09  -0.12   0.12
    22   1     0.11  -0.05   0.09     0.10   0.03   0.08    -0.12  -0.15   0.15
    23   1    -0.04  -0.18  -0.13     0.18   0.41   0.13     0.33   0.12   0.23
    24   1     0.05   0.11  -0.09     0.02   0.02   0.02     0.15   0.10  -0.01
    25   1    -0.19  -0.01   0.08     0.24   0.20  -0.35     0.08   0.14  -0.19
    26   1    -0.22   0.04   0.08    -0.01   0.05   0.06    -0.09   0.05  -0.08
    27   1    -0.14  -0.00   0.13    -0.03   0.02  -0.05    -0.08   0.05  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    450.9906               512.4600               525.1648
 Red. masses --      2.0847                 3.1654                 3.2293
 Frc consts  --      0.2498                 0.4898                 0.5247
 IR Inten    --      0.5135                 2.4882                 2.2744
 RamAct Fr= 1--      1.6908                 1.1210                 1.5243
  Dep-P Fr= 1--      0.1864                 0.6136                 0.2370
  Dep-U Fr= 1--      0.3143                 0.7605                 0.3832
 Alpha2 Fr= 1--      0.0238                 0.0028                 0.0187
 Beta2  Fr= 1--      0.0886                 0.1421                 0.0973
 AlphaG Fr= 1--     -0.0316                 0.0052                 0.0363
 Gamma2 Fr= 1--     -0.4143                 0.0926                -0.1590
 Delta2 Fr= 1--     -0.1119                -0.0282                 0.0920
 Raman1 Fr= 1--       6.763                  4.484                  6.097
 ROA1   Fr= 1--     -43.349                  7.985                -12.322
 CID1   Fr= 1--      -6.410                  1.781                 -2.021
 Raman2 Fr= 1--       1.063                  1.705                  1.168
 ROA2   Fr= 1--      -9.047                  2.447                 -4.553
 CID2   Fr= 1--      -8.513                  1.435                 -3.898
 Raman3 Fr= 1--       2.125                  3.410                  2.336
 ROA3   Fr= 1--     -43.349                  7.985                -12.322
 CID3   Fr= 1--     -20.396                  2.341                 -5.274
 RC180  Fr= 1--      -0.371                  0.521                 -0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.04     0.02   0.00   0.04     0.19   0.07   0.02
     2   6    -0.01   0.01   0.08    -0.05   0.07  -0.00     0.05   0.04  -0.06
     3   6    -0.02  -0.09  -0.00     0.08  -0.09  -0.00     0.06   0.07   0.02
     4   8    -0.04  -0.07  -0.05    -0.10  -0.07  -0.05    -0.12   0.09   0.05
     5   6     0.01  -0.05  -0.05     0.18  -0.05   0.02    -0.04  -0.08  -0.04
     6   6    -0.02  -0.02  -0.01    -0.01   0.06  -0.08    -0.13  -0.12  -0.08
     7   6     0.01   0.05   0.09    -0.03   0.11  -0.05    -0.03  -0.07   0.04
     8   6     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.17  -0.12   0.01
     9   1     0.03   0.10   0.05    -0.09   0.04   0.01    -0.12  -0.05  -0.01
    10   1     0.01  -0.04   0.17    -0.04   0.06  -0.06     0.01   0.19  -0.30
    11   6    -0.02   0.01  -0.04     0.03   0.04  -0.09    -0.02  -0.01   0.06
    12   6    -0.05  -0.01  -0.01     0.11  -0.04   0.20    -0.03   0.03  -0.05
    13   6     0.11   0.18  -0.03    -0.13   0.03   0.04    -0.05   0.04   0.00
    14   1    -0.07  -0.09  -0.00    -0.14  -0.01  -0.14    -0.16  -0.11  -0.12
    15   1     0.02  -0.01   0.20    -0.04   0.11  -0.03    -0.04  -0.17   0.27
    16   1     0.08   0.15   0.06    -0.02   0.10  -0.06     0.07   0.14   0.03
    17   1     0.07  -0.05  -0.02    -0.05  -0.08  -0.05     0.04  -0.14  -0.04
    18   1     0.01  -0.00  -0.02     0.09  -0.16  -0.02     0.29  -0.30   0.01
    19   1     0.00   0.01  -0.02    -0.09  -0.03  -0.04     0.06  -0.12  -0.02
    20   1    -0.03   0.06  -0.02    -0.20  -0.06   0.03     0.03   0.09   0.05
    21   1    -0.04   0.00   0.01    -0.04   0.11  -0.19    -0.09  -0.04   0.20
    22   1    -0.01   0.06  -0.09     0.05   0.16  -0.27     0.03   0.07   0.05
    23   1    -0.09   0.01  -0.03    -0.03   0.02   0.13     0.01   0.11   0.02
    24   1    -0.01   0.00   0.08     0.18  -0.05   0.41     0.03   0.07   0.03
    25   1    -0.10   0.01   0.00     0.03  -0.00   0.21    -0.10   0.11  -0.16
    26   1     0.35   0.43   0.25    -0.36   0.00  -0.06     0.01  -0.01  -0.02
    27   1     0.12   0.38  -0.44    -0.13  -0.08   0.22    -0.27   0.22   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    600.0471               665.9029               724.8237
 Red. masses --      3.7208                 3.3856                 4.5367
 Frc consts  --      0.7893                 0.8845                 1.4043
 IR Inten    --      0.6131                 1.7742                 0.6350
 RamAct Fr= 1--     14.1505                12.2989                 3.6587
  Dep-P Fr= 1--      0.0442                 0.0606                 0.3016
  Dep-U Fr= 1--      0.0846                 0.1142                 0.4634
 Alpha2 Fr= 1--      0.2834                 0.2369                 0.0373
 Beta2  Fr= 1--      0.1995                 0.2342                 0.2826
 AlphaG Fr= 1--     -0.0393                -0.0796                -0.0170
 Gamma2 Fr= 1--      0.1023                -0.4464                -0.3539
 Delta2 Fr= 1--     -0.0740                 0.0177                 0.6923
 Raman1 Fr= 1--      56.602                 49.196                 14.635
 ROA1   Fr= 1--       7.458                -42.293                -11.817
 CID1   Fr= 1--       0.132                 -0.860                 -0.807
 Raman2 Fr= 1--       2.394                  2.810                  3.391
 ROA2   Fr= 1--       3.048                -10.856                -14.032
 CID2   Fr= 1--       1.273                 -3.863                 -4.138
 Raman3 Fr= 1--       4.789                  5.621                  6.782
 ROA3   Fr= 1--       7.458                -42.293                -11.817
 CID3   Fr= 1--       1.557                 -7.525                 -1.742
 RC180  Fr= 1--      -0.831                 -0.772                 -0.073
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.13   0.01     0.06   0.13   0.10    -0.05  -0.06   0.07
     2   6    -0.08   0.05   0.04     0.04   0.11  -0.05    -0.09   0.04   0.05
     3   6    -0.00  -0.07   0.03    -0.01  -0.12  -0.01    -0.02   0.00   0.29
     4   8     0.06  -0.04  -0.04    -0.06  -0.12  -0.07    -0.01   0.18   0.04
     5   6    -0.10   0.09   0.05    -0.02  -0.07  -0.04     0.04  -0.15  -0.09
     6   6     0.01   0.17  -0.02     0.14   0.01   0.04     0.08  -0.08  -0.17
     7   6    -0.05   0.20  -0.04     0.05   0.07  -0.06    -0.01   0.16  -0.09
     8   6     0.22  -0.17   0.02    -0.06   0.06   0.01    -0.06   0.02   0.01
     9   1    -0.07   0.12   0.01    -0.19  -0.08   0.04     0.04   0.04   0.04
    10   1    -0.07   0.02   0.07     0.07   0.10  -0.35    -0.05  -0.07   0.21
    11   6    -0.06  -0.06   0.09    -0.05  -0.06   0.06     0.01  -0.03  -0.01
    12   6    -0.05   0.03  -0.06    -0.09   0.02  -0.12    -0.03  -0.02  -0.06
    13   6    -0.03  -0.02  -0.06     0.09   0.02   0.19     0.14  -0.14  -0.08
    14   1     0.11   0.16   0.10     0.09   0.02  -0.02     0.04  -0.23  -0.07
    15   1    -0.03   0.23  -0.13    -0.09   0.23  -0.26    -0.02   0.10   0.05
    16   1    -0.05   0.12  -0.08    -0.09  -0.20  -0.04     0.04   0.23  -0.11
    17   1     0.27  -0.17   0.03    -0.17   0.01  -0.06     0.02   0.01   0.02
    18   1     0.19  -0.12   0.02     0.10  -0.16  -0.01    -0.12   0.11   0.02
    19   1     0.26  -0.17   0.03    -0.24   0.08  -0.04    -0.02   0.05   0.01
    20   1     0.00  -0.14   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
    21   1     0.06  -0.06  -0.04    -0.07  -0.09   0.17    -0.07  -0.05   0.11
    22   1    -0.14  -0.24   0.22    -0.03  -0.04   0.09     0.08   0.08  -0.06
    23   1     0.07  -0.04  -0.02    -0.08   0.07  -0.10    -0.11   0.18  -0.01
    24   1    -0.10   0.04  -0.24    -0.07   0.03  -0.07     0.14   0.04   0.30
    25   1     0.02  -0.00  -0.06    -0.12   0.06  -0.19    -0.26   0.16  -0.23
    26   1    -0.25   0.05  -0.06    -0.02  -0.08   0.07     0.01  -0.16  -0.13
    27   1     0.06  -0.15   0.03     0.05  -0.03   0.36     0.18  -0.23   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    789.0077               831.2801               839.0778
 Red. masses --      2.6637                 1.8084                 2.4409
 Frc consts  --      0.9770                 0.7363                 1.0125
 IR Inten    --      0.3440                 3.1922                 3.1840
 RamAct Fr= 1--      1.0398                 5.7083                 2.3042
  Dep-P Fr= 1--      0.7108                 0.0516                 0.3387
  Dep-U Fr= 1--      0.8310                 0.0982                 0.5060
 Alpha2 Fr= 1--      0.0007                 0.1123                 0.0210
 Beta2  Fr= 1--      0.1440                 0.0934                 0.1943
 AlphaG Fr= 1--      0.0018                -0.0828                 0.0267
 Gamma2 Fr= 1--      0.8591                -0.3275                -1.1921
 Delta2 Fr= 1--     -0.2078                 0.0667                -0.4603
 Raman1 Fr= 1--       4.159                 22.833                  9.217
 ROA1   Fr= 1--      75.825                -29.302               -129.170
 CID1   Fr= 1--      18.231                 -1.283                -14.015
 Raman2 Fr= 1--       1.728                  1.121                  2.332
 ROA2   Fr= 1--      22.282                 -8.393                -24.927
 CID2   Fr= 1--      12.894                 -7.485                -10.690
 Raman3 Fr= 1--       3.456                  2.243                  4.663
 ROA3   Fr= 1--      75.825                -29.302               -129.170
 CID3   Fr= 1--      21.939                -13.065                -27.698
 RC180  Fr= 1--       0.662                 -0.804                  0.012
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.02    -0.02  -0.02  -0.06     0.10   0.11   0.04
     2   6     0.03   0.04  -0.12    -0.05  -0.05  -0.08    -0.08  -0.13   0.14
     3   6    -0.03  -0.17   0.23     0.04   0.04  -0.03     0.10  -0.02  -0.06
     4   8     0.01  -0.02  -0.07    -0.01   0.01   0.02    -0.04  -0.04  -0.02
     5   6    -0.04   0.08   0.05     0.06  -0.08  -0.04     0.01   0.04   0.02
     6   6    -0.01  -0.02   0.01     0.02   0.09   0.08    -0.02   0.05  -0.03
     7   6    -0.03  -0.09   0.02    -0.02  -0.01  -0.01    -0.06  -0.01  -0.02
     8   6    -0.00   0.02  -0.00     0.02  -0.03  -0.02    -0.02   0.09   0.01
     9   1     0.36   0.16  -0.19     0.42   0.08  -0.17     0.14  -0.27   0.16
    10   1    -0.07   0.18   0.26    -0.14   0.05   0.42    -0.16   0.04   0.22
    11   6     0.06   0.08  -0.07    -0.01  -0.06   0.03    -0.02  -0.01   0.04
    12   6    -0.03   0.02  -0.01    -0.03  -0.01  -0.07    -0.02   0.02  -0.02
    13   6    -0.01   0.03   0.01    -0.01   0.07   0.10     0.07  -0.02  -0.13
    14   1     0.05   0.07  -0.02    -0.05   0.10  -0.00     0.10   0.01   0.11
    15   1     0.13  -0.25   0.21     0.30  -0.16  -0.01     0.22  -0.20   0.12
    16   1    -0.06   0.22   0.16    -0.11   0.25   0.16     0.09   0.28  -0.03
    17   1    -0.10   0.01  -0.02    -0.01   0.03   0.04    -0.30   0.05  -0.08
    18   1     0.06  -0.09   0.02    -0.04   0.04   0.04     0.22  -0.27  -0.00
    19   1    -0.05  -0.00  -0.00     0.15  -0.09   0.04    -0.30   0.06  -0.03
    20   1     0.16  -0.02  -0.16    -0.09   0.03   0.10    -0.07  -0.07   0.06
    21   1     0.24   0.07  -0.22    -0.17  -0.06   0.18    -0.01   0.01  -0.03
    22   1    -0.05  -0.16   0.11     0.08   0.14  -0.10    -0.05  -0.05   0.04
    23   1    -0.05  -0.02  -0.04    -0.09   0.07  -0.07    -0.02  -0.02  -0.04
    24   1    -0.09  -0.02  -0.08     0.06   0.01   0.11    -0.05   0.01  -0.09
    25   1     0.03  -0.04   0.07    -0.14   0.06  -0.11     0.01  -0.02   0.03
    26   1    -0.04  -0.10  -0.11    -0.12   0.01   0.01     0.00  -0.16  -0.27
    27   1    -0.13   0.04   0.20     0.08  -0.07   0.19     0.05  -0.10   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    847.1710               895.6939               899.6128
 Red. masses --      2.5453                 2.4307                 2.3177
 Frc consts  --      1.0763                 1.1490                 1.1051
 IR Inten    --      0.5954                 0.2383                 1.0447
 RamAct Fr= 1--      0.9259                 5.1804                 2.9319
  Dep-P Fr= 1--      0.5737                 0.1123                 0.5965
  Dep-U Fr= 1--      0.7291                 0.2019                 0.7473
 Alpha2 Fr= 1--      0.0031                 0.0880                 0.0084
 Beta2  Fr= 1--      0.1125                 0.1743                 0.3652
 AlphaG Fr= 1--     -0.0185                -0.0422                 0.0334
 Gamma2 Fr= 1--      0.3243                -0.1510                 0.0736
 Delta2 Fr= 1--      0.2616                -0.1777                -0.1729
 Raman1 Fr= 1--       3.704                 20.722                 11.728
 ROA1   Fr= 1--      39.502                -20.188                  1.532
 CID1   Fr= 1--      10.666                 -0.974                  0.131
 Raman2 Fr= 1--       1.350                  2.091                  4.382
 ROA2   Fr= 1--       5.690                 -2.203                  3.149
 CID2   Fr= 1--       4.214                 -1.053                  0.719
 Raman3 Fr= 1--       2.700                  4.183                  8.764
 ROA3   Fr= 1--      39.502                -20.188                  1.532
 CID3   Fr= 1--      14.629                 -4.826                  0.175
 RC180  Fr= 1--       0.458                 -0.596                  0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.11    -0.01   0.02   0.09     0.02   0.07  -0.10
     2   6     0.05  -0.08   0.04     0.12  -0.06  -0.12    -0.04  -0.04   0.09
     3   6     0.07  -0.07   0.14    -0.04   0.01  -0.03    -0.08  -0.01   0.01
     4   8    -0.02   0.03  -0.02     0.00  -0.01   0.00     0.01  -0.01  -0.01
     5   6     0.03  -0.06  -0.01    -0.06  -0.03  -0.01    -0.08  -0.03   0.01
     6   6    -0.06   0.10   0.14    -0.10  -0.00   0.15    -0.13   0.05   0.00
     7   6     0.06   0.01   0.09    -0.05   0.16  -0.07     0.03   0.03  -0.07
     8   6    -0.00   0.02  -0.03     0.01  -0.00   0.06     0.05  -0.01  -0.06
     9   1    -0.19   0.05   0.03     0.30  -0.24  -0.08    -0.07  -0.05   0.10
    10   1     0.14  -0.25  -0.10     0.11  -0.04  -0.01    -0.02  -0.06   0.01
    11   6     0.01  -0.01  -0.01     0.02   0.01  -0.07     0.03   0.04  -0.08
    12   6    -0.02  -0.01  -0.07     0.02  -0.03   0.05     0.01  -0.04   0.06
    13   6    -0.10   0.05  -0.13     0.00  -0.05  -0.04     0.10  -0.03   0.14
    14   1    -0.03   0.02   0.24    -0.04  -0.20   0.40    -0.29   0.08  -0.18
    15   1    -0.11   0.27  -0.31     0.12   0.09  -0.10     0.07   0.02  -0.08
    16   1     0.03  -0.47  -0.06    -0.07   0.26  -0.02     0.23   0.05  -0.22
    17   1    -0.16   0.07   0.00     0.21  -0.17  -0.09    -0.26   0.18   0.10
    18   1     0.03  -0.06   0.03     0.09  -0.04  -0.11     0.02  -0.06   0.15
    19   1     0.03  -0.07   0.02    -0.23   0.19  -0.09     0.30  -0.27   0.12
    20   1     0.02   0.04  -0.01     0.13   0.16  -0.10     0.16   0.12  -0.15
    21   1    -0.05  -0.02   0.08    -0.06  -0.03   0.12     0.04   0.00   0.01
    22   1     0.06   0.06  -0.02     0.09   0.10  -0.03     0.04   0.01   0.02
    23   1    -0.13   0.12  -0.07     0.12  -0.02   0.12     0.15   0.00   0.17
    24   1     0.08   0.01   0.18     0.04   0.02   0.02     0.07   0.03   0.03
    25   1    -0.18   0.10  -0.14    -0.01   0.01  -0.03    -0.03   0.04  -0.08
    26   1    -0.03  -0.06  -0.21     0.21  -0.12  -0.03     0.30  -0.21   0.04
    27   1    -0.10   0.01  -0.05    -0.04   0.01  -0.08     0.09  -0.03   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --    939.9711               954.0769               965.2187
 Red. masses --      2.4617                 1.9587                 1.6054
 Frc consts  --      1.2815                 1.0505                 0.8812
 IR Inten    --     11.8573                 7.0058                 0.2782
 RamAct Fr= 1--     10.1564                 2.8666                 4.0159
  Dep-P Fr= 1--      0.2761                 0.7221                 0.5186
  Dep-U Fr= 1--      0.4327                 0.8387                 0.6830
 Alpha2 Fr= 1--      0.1118                 0.0014                 0.0181
 Beta2  Fr= 1--      0.7324                 0.4007                 0.4571
 AlphaG Fr= 1--      0.0406                -0.0108                 0.0431
 Gamma2 Fr= 1--      0.0201                -0.4983                 0.6453
 Delta2 Fr= 1--     -0.0953                -0.9973                 0.0854
 Raman1 Fr= 1--      40.625                 11.466                 16.064
 ROA1   Fr= 1--      -1.123                -79.748                 64.684
 CID1   Fr= 1--      -0.028                 -6.955                  4.027
 Raman2 Fr= 1--       8.789                  4.808                  5.486
 ROA2   Fr= 1--       1.244                 -3.979                 14.804
 CID2   Fr= 1--       0.142                 -0.828                  2.699
 Raman3 Fr= 1--      17.577                  9.616                 10.971
 ROA3   Fr= 1--      -1.123                -79.748                 64.684
 CID3   Fr= 1--      -0.064                 -8.293                  5.896
 RC180  Fr= 1--      -0.135                  0.677                  0.366
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.02    -0.02  -0.03   0.05    -0.00   0.01   0.02
     2   6     0.02   0.01  -0.06    -0.01   0.11  -0.03    -0.08   0.04  -0.00
     3   6     0.17  -0.03   0.04     0.06  -0.01  -0.00    -0.01   0.00  -0.00
     4   8    -0.02   0.00  -0.01    -0.01  -0.01  -0.00     0.00   0.01   0.00
     5   6     0.10   0.10   0.01    -0.01  -0.03   0.02    -0.03   0.02  -0.09
     6   6    -0.15  -0.05   0.01    -0.10   0.14   0.02     0.02  -0.00   0.02
     7   6     0.02   0.07  -0.06     0.03  -0.13   0.01     0.08  -0.04  -0.02
     8   6    -0.04   0.02  -0.02    -0.02  -0.01   0.06     0.03   0.01   0.02
     9   1     0.06   0.03  -0.07    -0.12   0.16  -0.03     0.03   0.13  -0.04
    10   1     0.07  -0.12   0.04    -0.05   0.21  -0.11    -0.11   0.07   0.13
    11   6    -0.04  -0.02   0.10     0.02   0.00  -0.02    -0.10  -0.03  -0.03
    12   6     0.00   0.07  -0.06    -0.02  -0.03  -0.01     0.11   0.00   0.04
    13   6    -0.01  -0.10   0.09     0.05  -0.06  -0.03    -0.03  -0.02  -0.02
    14   1    -0.32  -0.10  -0.10    -0.09   0.39  -0.19     0.07   0.06   0.01
    15   1     0.00   0.07  -0.05     0.03  -0.14   0.04     0.14  -0.01  -0.13
    16   1     0.08   0.04  -0.12     0.14  -0.05  -0.05     0.03  -0.08   0.01
    17   1    -0.09   0.07   0.02     0.22  -0.17  -0.08    -0.04  -0.03  -0.04
    18   1    -0.08   0.05   0.03     0.03   0.01  -0.12     0.13  -0.12  -0.01
    19   1     0.02  -0.03   0.02    -0.23   0.20  -0.08    -0.10   0.01  -0.01
    20   1    -0.13  -0.16   0.12    -0.03   0.02   0.02     0.34   0.23  -0.24
    21   1     0.05   0.03  -0.11    -0.05   0.01   0.01    -0.06  -0.19   0.33
    22   1    -0.12  -0.12   0.09     0.06   0.08  -0.08    -0.03  -0.09   0.32
    23   1    -0.26  -0.02  -0.28     0.08   0.06   0.10    -0.23   0.00  -0.18
    24   1    -0.12  -0.07  -0.04     0.08   0.06   0.04     0.08  -0.12   0.28
    25   1     0.10  -0.09   0.24    -0.13   0.09  -0.19     0.06  -0.07   0.30
    26   1     0.39  -0.04   0.27     0.16  -0.06   0.01     0.10  -0.00   0.04
    27   1     0.02   0.05  -0.28     0.35  -0.27  -0.20    -0.07   0.06  -0.10
                     28                     29                     30
                      A                      A                      A
 Frequencies --    969.3696              1008.7267              1018.8189
 Red. masses --      1.8796                 1.5249                 1.4529
 Frc consts  --      1.0406                 0.9142                 0.8885
 IR Inten    --      4.7787                 9.9982                 3.7344
 RamAct Fr= 1--      2.4933                 2.1159                 1.3421
  Dep-P Fr= 1--      0.2078                 0.7499                 0.7277
  Dep-U Fr= 1--      0.3441                 0.8571                 0.8424
 Alpha2 Fr= 1--      0.0332                 0.0000                 0.0005
 Beta2  Fr= 1--      0.1430                 0.3022                 0.1884
 AlphaG Fr= 1--     -0.0189                 0.0016                -0.0036
 Gamma2 Fr= 1--      0.6539                -0.2977                -1.2205
 Delta2 Fr= 1--      0.1202                -0.1318                -0.5936
 Raman1 Fr= 1--       9.973                  8.464                  5.368
 ROA1   Fr= 1--      66.624                -32.795               -136.160
 CID1   Fr= 1--       6.680                 -3.875                -25.363
 Raman2 Fr= 1--       1.716                  3.627                  2.261
 ROA2   Fr= 1--      14.732                 -6.090                -24.542
 CID2   Fr= 1--       8.585                 -1.679                -10.854
 Raman3 Fr= 1--       3.432                  7.254                  4.522
 ROA3   Fr= 1--      66.624                -32.795               -136.160
 CID3   Fr= 1--      19.412                 -4.521                -30.108
 RC180  Fr= 1--      -0.312                  0.714                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.03  -0.02  -0.01    -0.01   0.02   0.00
     2   6     0.12  -0.06  -0.01     0.06  -0.01   0.01    -0.02  -0.06  -0.06
     3   6    -0.05  -0.01   0.01     0.09  -0.00  -0.01    -0.05   0.03  -0.04
     4   8     0.01  -0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
     5   6     0.03   0.03  -0.05    -0.04  -0.02   0.01     0.00   0.01  -0.03
     6   6    -0.05   0.07  -0.05     0.04   0.04  -0.02     0.01   0.01  -0.06
     7   6    -0.12   0.00   0.08    -0.07   0.01   0.01     0.02   0.03   0.09
     8   6    -0.03  -0.03   0.00    -0.03   0.02  -0.04     0.04   0.02   0.04
     9   1    -0.05  -0.12   0.03     0.03  -0.25   0.08     0.14   0.10  -0.13
    10   1     0.13  -0.03  -0.19     0.03   0.09  -0.14    -0.01  -0.13   0.20
    11   6    -0.05  -0.02   0.02    -0.04   0.06  -0.02    -0.01   0.05   0.05
    12   6     0.07   0.02  -0.01     0.01  -0.07  -0.00     0.01  -0.06   0.00
    13   6     0.10   0.05   0.00    -0.05  -0.06   0.04     0.01  -0.02   0.02
    14   1    -0.22   0.05  -0.20     0.21   0.13   0.07    -0.20  -0.00  -0.25
    15   1    -0.22  -0.01   0.22    -0.01  -0.06   0.09    -0.06   0.18  -0.15
    16   1    -0.07   0.04   0.05    -0.14   0.15   0.11    -0.22  -0.22   0.19
    17   1     0.18  -0.04   0.02    -0.15   0.13   0.05    -0.02  -0.08  -0.08
    18   1    -0.14   0.16  -0.04    -0.08   0.05   0.06     0.21  -0.18  -0.04
    19   1     0.06   0.07  -0.02     0.10  -0.10   0.04    -0.19   0.07  -0.03
    20   1     0.11   0.05  -0.06     0.19   0.02  -0.18    -0.06  -0.19   0.03
    21   1    -0.01  -0.08   0.12     0.16  -0.01  -0.04     0.19   0.10  -0.27
    22   1    -0.05  -0.08   0.16    -0.13  -0.20   0.25    -0.17  -0.19   0.08
    23   1    -0.25   0.02  -0.21     0.02   0.12   0.09     0.05   0.09   0.10
    24   1     0.04  -0.10   0.21     0.17   0.04   0.22     0.15   0.04   0.17
    25   1     0.04  -0.06   0.24    -0.21   0.11  -0.19    -0.14   0.09  -0.18
    26   1    -0.12  -0.14  -0.23    -0.09   0.26   0.29     0.21  -0.13  -0.02
    27   1     0.22  -0.21   0.30     0.08  -0.02  -0.26    -0.03   0.04  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1033.2111              1042.2857              1092.8148
 Red. masses --      1.8459                 1.5506                 1.3313
 Frc consts  --      1.1610                 0.9925                 0.9368
 IR Inten    --     24.7410                10.7653                 1.1453
 RamAct Fr= 1--      1.0421                 1.1462                 2.0943
  Dep-P Fr= 1--      0.7498                 0.5921                 0.7499
  Dep-U Fr= 1--      0.8570                 0.7438                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0034                 0.0000
 Beta2  Fr= 1--      0.1488                 0.1421                 0.2992
 AlphaG Fr= 1--      0.0007                 0.0113                -0.0002
 Gamma2 Fr= 1--     -0.1153                 0.4066                 2.4539
 Delta2 Fr= 1--     -0.0019                 0.4490                 0.4492
 Raman1 Fr= 1--       4.168                  4.585                  8.377
 ROA1   Fr= 1--     -11.126                 53.406                249.947
 CID1   Fr= 1--      -2.669                 11.649                 29.837
 Raman2 Fr= 1--       1.786                  1.705                  3.590
 ROA2   Fr= 1--      -2.751                  6.167                 55.300
 CID2   Fr= 1--      -1.540                  3.617                 15.404
 Raman3 Fr= 1--       3.572                  3.410                  7.180
 ROA3   Fr= 1--     -11.126                 53.406                249.947
 CID3   Fr= 1--      -3.115                 15.661                 34.812
 RC180  Fr= 1--       0.714                  0.488                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.00     0.02  -0.01   0.01    -0.05  -0.04  -0.02
     2   6    -0.01  -0.05  -0.05    -0.05   0.01   0.01     0.01   0.01  -0.02
     3   6     0.17  -0.01   0.01     0.10   0.01  -0.05     0.00   0.03  -0.03
     4   8    -0.03   0.02   0.01    -0.02  -0.01   0.00     0.00   0.01   0.01
     5   6    -0.07  -0.02  -0.03    -0.02  -0.01   0.01     0.00  -0.04   0.05
     6   6     0.01  -0.00  -0.07    -0.03  -0.05   0.03    -0.01  -0.05   0.04
     7   6    -0.00   0.04   0.07     0.04  -0.00  -0.03    -0.01  -0.01  -0.03
     8   6    -0.03   0.03  -0.00    -0.07  -0.06   0.01     0.06   0.06   0.02
     9   1     0.05   0.17  -0.13    -0.05   0.16  -0.03    -0.09   0.17  -0.06
    10   1     0.07  -0.26   0.17    -0.05  -0.00   0.07     0.12  -0.25   0.03
    11   6    -0.03  -0.02  -0.06    -0.03   0.07   0.01    -0.01   0.04  -0.01
    12   6    -0.05   0.03   0.10    -0.00  -0.04  -0.01    -0.00   0.01  -0.03
    13   6     0.02   0.02   0.03     0.05   0.08  -0.01     0.01   0.05   0.02
    14   1    -0.02   0.08  -0.17     0.02  -0.17   0.19    -0.09  -0.20   0.10
    15   1    -0.18   0.15  -0.00     0.08   0.00  -0.08    -0.12  -0.04   0.15
    16   1    -0.11  -0.16   0.09     0.17  -0.04  -0.15     0.22   0.04  -0.21
    17   1    -0.07   0.03  -0.01     0.30  -0.08   0.04    -0.19  -0.01  -0.09
    18   1    -0.02   0.01   0.00    -0.27   0.29  -0.07     0.27  -0.26   0.01
    19   1    -0.06   0.02  -0.01     0.09   0.12  -0.04    -0.19  -0.03   0.00
    20   1     0.17   0.20  -0.14     0.12  -0.07  -0.12     0.08  -0.02  -0.08
    21   1    -0.12  -0.12   0.25     0.21   0.04  -0.15     0.11   0.02  -0.05
    22   1     0.07   0.06   0.07    -0.17  -0.23   0.23    -0.06  -0.09   0.10
    23   1     0.30  -0.17   0.21     0.02   0.06   0.06    -0.07   0.02  -0.06
    24   1    -0.19   0.06  -0.40     0.08   0.03   0.09    -0.01  -0.02   0.03
    25   1     0.20  -0.06  -0.00    -0.11   0.06  -0.12    -0.02  -0.01   0.02
    26   1    -0.06  -0.01  -0.03    -0.04  -0.15  -0.23    -0.35   0.18   0.02
    27   1     0.10  -0.08   0.09    -0.14   0.09   0.33     0.36  -0.30   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7422              1135.1649              1178.2441
 Red. masses --      1.2131                 2.0022                 2.0162
 Frc consts  --      0.9074                 1.5201                 1.6491
 IR Inten    --      4.5107                 2.0199                 1.7198
 RamAct Fr= 1--      4.8573                 4.9984                 3.4286
  Dep-P Fr= 1--      0.5922                 0.6797                 0.7482
  Dep-U Fr= 1--      0.7438                 0.8093                 0.8560
 Alpha2 Fr= 1--      0.0143                 0.0062                 0.0001
 Beta2  Fr= 1--      0.6022                 0.6742                 0.4891
 AlphaG Fr= 1--     -0.0203                -0.0519                -0.0019
 Gamma2 Fr= 1--     -1.8475                 1.2851                -1.4539
 Delta2 Fr= 1--     -0.3546                 1.1278                -1.0879
 Raman1 Fr= 1--      19.429                 19.994                 13.714
 ROA1   Fr= 1--    -188.705                159.454               -174.390
 CID1   Fr= 1--      -9.712                  7.975                -12.716
 Raman2 Fr= 1--       7.226                  8.091                  5.870
 ROA2   Fr= 1--     -41.503                 21.820                -26.190
 CID2   Fr= 1--      -5.743                  2.697                 -4.462
 Raman3 Fr= 1--      14.452                 16.181                 11.739
 ROA3   Fr= 1--    -188.705                159.454               -174.390
 CID3   Fr= 1--     -13.057                  9.854                -14.855
 RC180  Fr= 1--       0.488                  0.619                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02    -0.04   0.07  -0.11    -0.10   0.03   0.19
     2   6    -0.00  -0.01  -0.03    -0.01  -0.02   0.08    -0.02   0.08  -0.04
     3   6     0.01   0.01  -0.02     0.04   0.00  -0.01     0.04   0.02  -0.04
     4   8     0.00  -0.01  -0.00    -0.01   0.01   0.00    -0.01  -0.01   0.00
     5   6    -0.03   0.06   0.03     0.01  -0.08   0.13    -0.02  -0.06   0.03
     6   6    -0.02   0.01  -0.02     0.09  -0.04   0.02    -0.04  -0.03   0.03
     7   6    -0.03   0.00  -0.01    -0.02   0.04  -0.06     0.06  -0.01  -0.01
     8   6     0.00   0.02  -0.00     0.01  -0.05   0.07     0.04  -0.02  -0.10
     9   1    -0.08   0.25  -0.10    -0.08  -0.06   0.09     0.13  -0.30   0.07
    10   1     0.13  -0.32   0.10     0.09  -0.23   0.01     0.14  -0.27   0.08
    11   6     0.02  -0.03  -0.00     0.00   0.03  -0.05     0.01   0.03  -0.00
    12   6     0.03  -0.04  -0.03    -0.01   0.04  -0.05     0.02   0.02  -0.02
    13   6     0.03  -0.02   0.03    -0.08   0.02   0.03     0.00   0.04  -0.09
    14   1     0.40   0.28   0.14     0.06   0.34  -0.37     0.04   0.22  -0.13
    15   1    -0.28   0.00   0.25    -0.08  -0.03   0.17    -0.11   0.03   0.06
    16   1     0.12   0.04  -0.13    -0.16   0.15   0.10    -0.26  -0.03   0.24
    17   1    -0.08   0.03  -0.01     0.28  -0.21  -0.07    -0.15   0.20   0.12
    18   1     0.04  -0.05   0.03     0.05   0.02  -0.16    -0.05  -0.04   0.22
    19   1    -0.05  -0.02   0.01    -0.11   0.17  -0.07     0.30  -0.29   0.10
    20   1    -0.06   0.04   0.07     0.12   0.08  -0.11    -0.00  -0.04  -0.01
    21   1    -0.11  -0.01   0.05     0.05  -0.02   0.02     0.06   0.04  -0.08
    22   1     0.09   0.11  -0.10     0.02  -0.00   0.06    -0.03  -0.03  -0.01
    23   1    -0.08   0.10  -0.03    -0.13  -0.01  -0.15    -0.08  -0.01  -0.09
    24   1     0.13  -0.00   0.19    -0.09  -0.05  -0.03    -0.03  -0.05   0.03
    25   1    -0.13   0.05  -0.04     0.00  -0.02   0.07     0.01  -0.01   0.07
    26   1     0.10  -0.08  -0.00     0.34  -0.22  -0.05     0.10  -0.19  -0.25
    27   1    -0.29   0.23   0.15    -0.01   0.02  -0.11     0.10  -0.11   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1193.6032              1221.8600              1239.7966
 Red. masses --      2.4492                 2.0342                 1.9144
 Frc consts  --      2.0559                 1.7894                 1.7337
 IR Inten    --      2.0483                 0.2558                 2.0314
 RamAct Fr= 1--      3.6567                 1.4066                 4.1166
  Dep-P Fr= 1--      0.7371                 0.7235                 0.7300
  Dep-U Fr= 1--      0.8486                 0.8396                 0.8439
 Alpha2 Fr= 1--      0.0008                 0.0006                 0.0014
 Beta2  Fr= 1--      0.5172                 0.1968                 0.5790
 AlphaG Fr= 1--     -0.0029                 0.0023                -0.0036
 Gamma2 Fr= 1--     -2.0633                 0.1546                 1.9555
 Delta2 Fr= 1--     -1.2937                -0.1597                 1.1070
 Raman1 Fr= 1--      14.627                  5.626                 16.466
 ROA1   Fr= 1--    -239.476                  9.733                223.147
 CID1   Fr= 1--     -16.373                  1.730                 13.552
 Raman2 Fr= 1--       6.206                  2.362                  6.948
 ROA2   Fr= 1--     -39.170                  4.989                 38.075
 CID2   Fr= 1--      -6.311                  2.112                  5.480
 Raman3 Fr= 1--      12.413                  4.724                 13.896
 ROA3   Fr= 1--    -239.476                  9.733                223.147
 CID3   Fr= 1--     -19.293                  2.060                 16.058
 RC180  Fr= 1--       0.697                  0.679                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.03    -0.06   0.19  -0.03    -0.03   0.08  -0.01
     2   6    -0.05  -0.06  -0.06    -0.03  -0.02  -0.03    -0.06   0.00  -0.03
     3   6    -0.02   0.02  -0.05     0.04  -0.02   0.03     0.00  -0.01   0.01
     4   8     0.00  -0.01   0.00    -0.01  -0.00  -0.01     0.00  -0.02  -0.01
     5   6    -0.08  -0.11   0.20    -0.07  -0.04  -0.14     0.07   0.18   0.08
     6   6    -0.06   0.01  -0.09     0.00   0.01  -0.03     0.01  -0.08   0.01
     7   6     0.05   0.06   0.10    -0.01  -0.01   0.04     0.06   0.02   0.02
     8   6    -0.03  -0.01  -0.00     0.02  -0.07   0.02     0.00  -0.04   0.00
     9   1     0.22  -0.05  -0.10     0.12  -0.11  -0.02     0.25  -0.38   0.05
    10   1    -0.23   0.32   0.10     0.01  -0.14   0.12    -0.09   0.06   0.09
    11   6     0.05   0.02  -0.06     0.03   0.01   0.05    -0.03  -0.06  -0.04
    12   6     0.04   0.06  -0.08     0.03   0.02   0.04    -0.03  -0.08  -0.02
    13   6     0.04  -0.05   0.00    -0.03  -0.01   0.05    -0.01   0.01  -0.01
    14   1     0.10   0.02   0.06     0.40   0.04   0.32    -0.16  -0.14  -0.10
    15   1    -0.06   0.22  -0.14    -0.17   0.02   0.13    -0.32   0.11   0.20
    16   1     0.12  -0.26  -0.07     0.26  -0.08  -0.21     0.12  -0.15  -0.09
    17   1     0.03   0.02   0.04     0.25  -0.09   0.03     0.12  -0.04   0.02
    18   1    -0.09   0.09  -0.01    -0.02   0.03  -0.07    -0.02   0.03  -0.03
    19   1     0.02   0.05  -0.02     0.15   0.04  -0.01     0.09   0.01  -0.00
    20   1     0.04   0.06  -0.04    -0.14  -0.17   0.11     0.04   0.20  -0.02
    21   1     0.01   0.03  -0.02     0.02   0.09  -0.14    -0.13  -0.12   0.21
    22   1     0.08   0.08  -0.09    -0.07  -0.05  -0.11     0.12   0.11   0.08
    23   1    -0.28   0.01  -0.30     0.01  -0.07  -0.02     0.06   0.16   0.15
    24   1    -0.07  -0.14   0.12    -0.03  -0.04   0.01     0.16   0.12   0.05
    25   1    -0.01  -0.04   0.23     0.10  -0.04   0.12    -0.18   0.08  -0.23
    26   1    -0.25   0.25   0.18     0.02   0.04   0.10    -0.13   0.07  -0.00
    27   1     0.01  -0.01  -0.02     0.30  -0.20  -0.18     0.17  -0.13  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.7210              1267.9215              1277.1305
 Red. masses --      2.2572                 1.5165                 1.4907
 Frc consts  --      2.0737                 1.4365                 1.4326
 IR Inten    --      3.3796                 0.8630                 1.0654
 RamAct Fr= 1--      4.7518                 4.4354                 4.2641
  Dep-P Fr= 1--      0.7247                 0.7328                 0.7410
  Dep-U Fr= 1--      0.8403                 0.8458                 0.8513
 Alpha2 Fr= 1--      0.0021                 0.0013                 0.0007
 Beta2  Fr= 1--      0.6655                 0.6252                 0.6050
 AlphaG Fr= 1--     -0.0034                 0.0029                -0.0070
 Gamma2 Fr= 1--      0.2843                 1.1400                -0.2648
 Delta2 Fr= 1--      0.0324                 0.3173                 0.3699
 Raman1 Fr= 1--      19.007                 17.741                 17.056
 ROA1   Fr= 1--      28.324                119.594                -13.580
 CID1   Fr= 1--       1.490                  6.741                 -0.796
 Raman2 Fr= 1--       7.986                  7.503                  7.260
 ROA2   Fr= 1--       6.563                 24.821                 -9.314
 CID2   Fr= 1--       0.822                  3.308                 -1.283
 Raman3 Fr= 1--      15.973                 15.005                 14.519
 ROA3   Fr= 1--      28.324                119.594                -13.580
 CID3   Fr= 1--       1.773                  7.970                 -0.935
 RC180  Fr= 1--       0.681                  0.692                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.09     0.04  -0.10   0.02    -0.03   0.06   0.06
     2   6     0.00  -0.04  -0.05     0.00  -0.07  -0.00     0.05  -0.05   0.02
     3   6    -0.07   0.02  -0.02    -0.00   0.00   0.00     0.02  -0.00  -0.01
     4   8     0.01  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.01
     5   6     0.21  -0.10   0.03    -0.04  -0.00  -0.04    -0.02   0.05   0.08
     6   6     0.04   0.11  -0.01     0.03  -0.05   0.04     0.02   0.01  -0.10
     7   6    -0.04  -0.02   0.03     0.03   0.05  -0.02    -0.02  -0.02  -0.01
     8   6     0.01  -0.01  -0.04    -0.01   0.03  -0.02     0.01  -0.02  -0.03
     9   1     0.02   0.15  -0.11     0.05   0.06  -0.05    -0.24   0.47  -0.11
    10   1    -0.06   0.07   0.06    -0.27   0.55  -0.11     0.01   0.03  -0.03
    11   6    -0.08   0.03  -0.02     0.01   0.01   0.02     0.01  -0.03  -0.03
    12   6    -0.08   0.03   0.01     0.01  -0.00   0.01     0.01  -0.02  -0.02
    13   6    -0.03  -0.06  -0.02    -0.08   0.08   0.01    -0.06   0.03   0.03
    14   1    -0.00  -0.06   0.10     0.10   0.15  -0.08     0.01  -0.39   0.26
    15   1    -0.23  -0.02   0.22    -0.31   0.10   0.23     0.23  -0.08  -0.15
    16   1     0.37  -0.03  -0.31     0.15  -0.02  -0.15    -0.15   0.03   0.12
    17   1    -0.00   0.07   0.06    -0.14   0.06  -0.01     0.03   0.05   0.05
    18   1    -0.03  -0.01   0.08    -0.02   0.01   0.04    -0.02  -0.01   0.06
    19   1     0.12  -0.08   0.03    -0.04  -0.05   0.01     0.11  -0.05   0.01
    20   1     0.20   0.02  -0.19    -0.03  -0.04   0.03     0.00   0.10   0.01
    21   1     0.16  -0.10   0.07     0.00   0.04  -0.07    -0.08  -0.03   0.06
    22   1    -0.08  -0.10   0.23    -0.02  -0.01  -0.05     0.07   0.07  -0.01
    23   1     0.09  -0.10   0.04     0.01  -0.00   0.01    -0.05   0.07  -0.01
    24   1    -0.12   0.07  -0.25     0.01  -0.01   0.04     0.04   0.00   0.05
    25   1     0.12  -0.03  -0.11     0.01  -0.01   0.03    -0.08   0.03  -0.03
    26   1     0.23  -0.09   0.03     0.30  -0.27  -0.16     0.26  -0.20  -0.07
    27   1    -0.21   0.15  -0.10     0.21  -0.18  -0.04     0.27  -0.20  -0.15
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1294.5379              1322.4258              1346.6182
 Red. masses --      1.8556                 1.6719                 1.5730
 Frc consts  --      1.8322                 1.7227                 1.6806
 IR Inten    --      3.2010                 5.2231                 2.3917
 RamAct Fr= 1--      6.5826                 1.3523                 2.9956
  Dep-P Fr= 1--      0.6437                 0.7107                 0.6881
  Dep-U Fr= 1--      0.7833                 0.8309                 0.8152
 Alpha2 Fr= 1--      0.0126                 0.0009                 0.0033
 Beta2  Fr= 1--      0.8593                 0.1873                 0.4070
 AlphaG Fr= 1--     -0.0276                 0.0056                 0.0082
 Gamma2 Fr= 1--      4.9388                -1.2488                 0.2513
 Delta2 Fr= 1--      2.3715                -1.0047                 0.4172
 Raman1 Fr= 1--      26.330                  5.409                 11.982
 ROA1   Fr= 1--     550.011               -152.036                 37.476
 CID1   Fr= 1--      20.889                -28.108                  3.128
 Raman2 Fr= 1--      10.312                  2.247                  4.884
 ROA2   Fr= 1--      99.558                -21.934                  2.693
 CID2   Fr= 1--       9.655                 -9.760                  0.551
 Raman3 Fr= 1--      20.623                  4.494                  9.769
 ROA3   Fr= 1--     550.011               -152.036                 37.476
 CID3   Fr= 1--      26.669                -33.828                  3.836
 RC180  Fr= 1--       0.567                  0.662                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.09   0.08    -0.03  -0.02   0.03    -0.04   0.03   0.02
     2   6    -0.02  -0.06  -0.00     0.01   0.05  -0.04     0.04  -0.04   0.01
     3   6    -0.04  -0.00  -0.00     0.04  -0.00  -0.00    -0.02  -0.00   0.00
     4   8     0.00  -0.01  -0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.04   0.01  -0.03    -0.09   0.02   0.02     0.09   0.03  -0.01
     6   6     0.05  -0.02   0.12     0.12  -0.00   0.02    -0.08  -0.14   0.01
     7   6    -0.01   0.01  -0.06    -0.12   0.00   0.10    -0.05   0.05   0.05
     8   6    -0.04  -0.04  -0.03     0.01   0.01  -0.02     0.01  -0.00  -0.01
     9   1    -0.12   0.49  -0.16     0.06  -0.17   0.02    -0.08   0.20  -0.05
    10   1     0.06  -0.23   0.12     0.06  -0.09   0.02    -0.03   0.13  -0.06
    11   6     0.02   0.00   0.01     0.03  -0.01  -0.01    -0.03  -0.00   0.01
    12   6     0.02  -0.01   0.00     0.03  -0.01  -0.01    -0.03  -0.01  -0.01
    13   6    -0.02  -0.05  -0.06    -0.03   0.00  -0.02     0.02   0.01  -0.01
    14   1    -0.32   0.12  -0.38    -0.25  -0.06  -0.30     0.38   0.54  -0.18
    15   1    -0.10  -0.03   0.13     0.33  -0.05  -0.26     0.38   0.04  -0.37
    16   1    -0.02   0.10  -0.02     0.52  -0.01  -0.44     0.08  -0.01  -0.09
    17   1     0.04   0.11   0.13    -0.02   0.02   0.00     0.02   0.02   0.02
    18   1    -0.17   0.14   0.03     0.00  -0.02   0.05     0.03  -0.04   0.03
    19   1     0.12   0.08  -0.04     0.01  -0.06   0.02     0.04  -0.03   0.01
    20   1    -0.06  -0.04   0.04    -0.06   0.02   0.05     0.06   0.03  -0.04
    21   1    -0.02   0.03  -0.01    -0.09   0.02   0.01     0.09  -0.04  -0.01
    22   1    -0.02  -0.02  -0.04     0.02   0.01  -0.05     0.03   0.05   0.06
    23   1    -0.00   0.02   0.01    -0.05   0.05  -0.02     0.07   0.01   0.07
    24   1     0.02  -0.02   0.04     0.01  -0.04   0.05     0.05   0.08  -0.00
    25   1    -0.03   0.00   0.02    -0.08   0.02   0.04     0.06  -0.04  -0.03
    26   1    -0.21   0.23   0.11     0.13  -0.12  -0.08    -0.17   0.06  -0.02
    27   1     0.08  -0.09  -0.16    -0.09   0.07  -0.03     0.12  -0.09  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1361.0100              1398.6106              1418.2562
 Red. masses --      2.2085                 1.2098                 1.2782
 Frc consts  --      2.4103                 1.3943                 1.5148
 IR Inten    --      2.0251                 5.0837                 4.6160
 RamAct Fr= 1--      3.6781                 0.1405                 0.6131
  Dep-P Fr= 1--      0.6228                 0.4656                 0.0471
  Dep-U Fr= 1--      0.7675                 0.6354                 0.0900
 Alpha2 Fr= 1--      0.0085                 0.0008                 0.0122
 Beta2  Fr= 1--      0.4705                 0.0149                 0.0092
 AlphaG Fr= 1--     -0.0128                -0.0106                -0.0047
 Gamma2 Fr= 1--      0.0037                -0.0443                -0.0324
 Delta2 Fr= 1--     -0.2024                -0.0136                -0.0173
 Raman1 Fr= 1--      14.712                  0.562                  2.452
 ROA1   Fr= 1--      -6.119                 -4.689                 -3.663
 CID1   Fr= 1--      -0.416                 -8.343                 -1.494
 Raman2 Fr= 1--       5.646                  0.179                  0.110
 ROA2   Fr= 1--       1.709                 -0.954                 -0.638
 CID2   Fr= 1--       0.303                 -5.344                 -5.783
 Raman3 Fr= 1--      11.292                  0.357                  0.221
 ROA3   Fr= 1--      -6.119                 -4.689                 -3.663
 CID3   Fr= 1--      -0.542                -13.131                -16.591
 RC180  Fr= 1--       0.535                  0.271                 -0.820
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22  -0.07  -0.00     0.01  -0.01   0.00     0.03  -0.02   0.00
     2   6    -0.07   0.10  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.11   0.02  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.01
     4   8     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
     5   6     0.05  -0.01   0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6    -0.04  -0.01  -0.04    -0.01   0.00  -0.01    -0.00   0.00   0.01
     7   6    -0.03  -0.01   0.03     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.05   0.01   0.00    -0.00   0.00   0.00    -0.13   0.08  -0.01
     9   1     0.17  -0.25   0.06     0.02  -0.01   0.00    -0.02   0.01  -0.00
    10   1     0.21  -0.52   0.10     0.01  -0.03  -0.01    -0.01  -0.00   0.02
    11   6    -0.03  -0.01   0.01     0.06   0.04  -0.07     0.00   0.00  -0.00
    12   6    -0.02   0.00  -0.01    -0.06   0.02  -0.07     0.00   0.00   0.00
    13   6    -0.09   0.06   0.03    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   1     0.22   0.03   0.16     0.02  -0.00   0.02    -0.01   0.01  -0.01
    15   1     0.15  -0.03  -0.13    -0.01   0.02  -0.04    -0.01   0.00   0.01
    16   1     0.05  -0.03  -0.04    -0.00   0.02   0.02    -0.01   0.00   0.00
    17   1    -0.05   0.05   0.04    -0.01   0.00   0.00     0.50  -0.14  -0.12
    18   1    -0.10   0.11  -0.04    -0.00   0.01  -0.00     0.31  -0.48  -0.09
    19   1    -0.03   0.11  -0.04    -0.01   0.01  -0.00     0.50  -0.20   0.25
    20   1     0.11   0.05  -0.07    -0.32  -0.17   0.14    -0.01  -0.01   0.00
    21   1     0.10  -0.01  -0.09    -0.23  -0.05   0.38    -0.01  -0.00   0.02
    22   1     0.04   0.09  -0.03    -0.13  -0.33   0.23    -0.01  -0.02   0.00
    23   1     0.04  -0.02   0.02     0.31  -0.01   0.17    -0.01  -0.00  -0.01
    24   1     0.03   0.04   0.02     0.16   0.08   0.35    -0.01  -0.01  -0.01
    25   1     0.06  -0.03  -0.01     0.23  -0.23   0.24    -0.01   0.01  -0.01
    26   1     0.25  -0.12  -0.01     0.01  -0.04  -0.03    -0.01   0.00  -0.00
    27   1     0.30  -0.27  -0.06     0.01   0.01  -0.04    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.2132              1483.1445              1489.0081
 Red. masses --      1.2232                 1.0503                 1.0552
 Frc consts  --      1.4578                 1.3612                 1.3784
 IR Inten    --     11.0903                 1.5530                 1.9932
 RamAct Fr= 1--      0.4231                 2.2149                 3.6590
  Dep-P Fr= 1--      0.5891                 0.7439                 0.7382
  Dep-U Fr= 1--      0.7414                 0.8531                 0.8494
 Alpha2 Fr= 1--      0.0013                 0.0002                 0.0007
 Beta2  Fr= 1--      0.0523                 0.3149                 0.5180
 AlphaG Fr= 1--      0.0013                -0.0056                -0.0056
 Gamma2 Fr= 1--     -0.0253                -1.6384                 1.5564
 Delta2 Fr= 1--     -0.0338                -0.8028                 0.6645
 Raman1 Fr= 1--       1.693                  8.859                 14.636
 ROA1   Fr= 1--      -3.510               -182.976                170.684
 CID1   Fr= 1--      -2.074                -20.653                 11.662
 Raman2 Fr= 1--       0.627                  3.779                  6.216
 ROA2   Fr= 1--      -0.337                -32.899                 32.038
 CID2   Fr= 1--      -0.538                 -8.705                  5.154
 Raman3 Fr= 1--       1.255                  7.558                 12.432
 ROA3   Fr= 1--      -3.510               -182.976                170.684
 CID3   Fr= 1--      -2.797                -24.208                 13.730
 RC180  Fr= 1--       0.483                  0.706                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.01
     2   6     0.00  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.00   0.02
     3   6     0.03   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   8    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.03  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6     0.02   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.01
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.03
     9   1    -0.02   0.01  -0.00    -0.11  -0.04   0.02     0.21   0.08  -0.04
    10   1    -0.01   0.03   0.01    -0.02   0.03   0.11     0.03  -0.05  -0.21
    11   6    -0.05  -0.04   0.06     0.02   0.01   0.03     0.01  -0.01   0.00
    12   6    -0.06   0.02  -0.07    -0.02  -0.03   0.02    -0.01   0.01   0.02
    13   6     0.00  -0.01  -0.01    -0.01  -0.00  -0.02    -0.00  -0.00  -0.01
    14   1    -0.09  -0.07  -0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    15   1    -0.06   0.02   0.01     0.02  -0.01   0.00     0.14  -0.14   0.18
    16   1     0.01   0.04   0.01    -0.01  -0.01   0.00    -0.06  -0.25  -0.05
    17   1     0.03  -0.01  -0.01    -0.01   0.01   0.01     0.30  -0.03  -0.01
    18   1     0.01  -0.02   0.01     0.01  -0.00  -0.01    -0.11  -0.04   0.43
    19   1     0.02  -0.02   0.02     0.01   0.01  -0.00    -0.31  -0.21   0.02
    20   1     0.28   0.15  -0.12     0.27  -0.12  -0.18     0.03   0.20   0.03
    21   1     0.21   0.04  -0.33    -0.28   0.08   0.11    -0.18   0.11  -0.12
    22   1     0.13   0.31  -0.20    -0.25  -0.18  -0.37    -0.06  -0.11   0.03
    23   1     0.32  -0.01   0.18    -0.28   0.24  -0.04    -0.02  -0.26  -0.14
    24   1     0.18   0.09   0.39     0.27   0.38  -0.17     0.05   0.02   0.16
    25   1     0.25  -0.25   0.27     0.27  -0.15  -0.01     0.17   0.01  -0.25
    26   1     0.01   0.03   0.03     0.09   0.08   0.09     0.02   0.05   0.04
    27   1    -0.05   0.02   0.04    -0.01  -0.07   0.13    -0.00  -0.03   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1490.0830              1495.3768              1501.0864
 Red. masses --      1.0540                 1.0526                 1.0710
 Frc consts  --      1.3789                 1.3868                 1.4218
 IR Inten    --      3.7831                 5.8276                 7.9858
 RamAct Fr= 1--      8.1378                 3.8941                 3.9625
  Dep-P Fr= 1--      0.7499                 0.7239                 0.7129
  Dep-U Fr= 1--      0.8571                 0.8398                 0.8324
 Alpha2 Fr= 1--      0.0000                 0.0017                 0.0025
 Beta2  Fr= 1--      1.1624                 0.5451                 0.5497
 AlphaG Fr= 1--     -0.0009                 0.0044                -0.0044
 Gamma2 Fr= 1--     -2.5595                 2.1098                -1.0391
 Delta2 Fr= 1--     -0.7175                 1.9370                -1.0142
 Raman1 Fr= 1--      32.551                 15.576                 15.850
 ROA1   Fr= 1--    -268.671                264.528               -132.206
 CID1   Fr= 1--      -8.254                 16.982                 -8.341
 Raman2 Fr= 1--      13.949                  6.541                  6.597
 ROA2   Fr= 1--     -55.688                 35.139                -16.824
 CID2   Fr= 1--      -3.992                  5.372                 -2.550
 Raman3 Fr= 1--      27.898                 13.081                 13.194
 ROA3   Fr= 1--    -268.671                264.528               -132.206
 CID3   Fr= 1--      -9.630                 20.222                -10.020
 RC180  Fr= 1--       0.714                  0.680                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.02    -0.01  -0.02  -0.02     0.02   0.02  -0.00
     2   6    -0.00  -0.00   0.00     0.02   0.00  -0.02     0.03  -0.00  -0.03
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00  -0.00
     4   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.01  -0.02   0.01     0.00  -0.00  -0.00     0.01  -0.02   0.00
     8   6     0.00   0.01  -0.03    -0.02  -0.03  -0.02     0.01   0.02  -0.00
     9   1     0.01  -0.02   0.01    -0.24  -0.13   0.06    -0.39  -0.13   0.07
    10   1    -0.00  -0.01   0.00    -0.04   0.07   0.24    -0.05   0.07   0.40
    11   6    -0.02   0.02   0.00     0.01  -0.01  -0.00     0.01  -0.01   0.00
    12   6     0.01  -0.02  -0.01    -0.00   0.01   0.00     0.01   0.01  -0.01
    13   6     0.00   0.00   0.02    -0.00   0.00  -0.00    -0.02  -0.00  -0.03
    14   1     0.01  -0.01   0.01     0.01   0.01   0.00     0.03   0.02  -0.01
    15   1    -0.11   0.10  -0.12    -0.03   0.03  -0.02    -0.09   0.10  -0.13
    16   1     0.03   0.17   0.04     0.01   0.04   0.01     0.04   0.18   0.04
    17   1     0.35   0.06   0.10     0.14   0.38   0.44     0.05  -0.19  -0.21
    18   1    -0.09  -0.10   0.49     0.13  -0.31   0.16    -0.11   0.14   0.10
    19   1    -0.33  -0.11  -0.03     0.01   0.44  -0.23    -0.14  -0.29   0.11
    20   1     0.01  -0.27  -0.08    -0.04   0.16   0.06     0.03   0.19   0.03
    21   1     0.18  -0.13   0.17    -0.07   0.07  -0.11    -0.19   0.11  -0.10
    22   1     0.03   0.12  -0.11     0.00  -0.05   0.10    -0.07  -0.13   0.04
    23   1     0.00   0.26   0.13     0.01  -0.11  -0.04     0.14  -0.06   0.05
    24   1    -0.04   0.01  -0.17    -0.01  -0.03   0.06    -0.14  -0.17   0.04
    25   1    -0.15  -0.02   0.24     0.04   0.02  -0.08    -0.16   0.07   0.04
    26   1    -0.07  -0.06  -0.06     0.04   0.02   0.03     0.14   0.14   0.15
    27   1     0.01   0.05  -0.11    -0.01  -0.02   0.07     0.02  -0.13   0.20
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.1899              1509.7741              1515.6307
 Red. masses --      1.0642                 1.0733                 1.0705
 Frc consts  --      1.4149                 1.4414                 1.4489
 IR Inten    --      0.9166                10.5588                 9.8984
 RamAct Fr= 1--      7.6853                 3.1981                 2.6650
  Dep-P Fr= 1--      0.7469                 0.7303                 0.7429
  Dep-U Fr= 1--      0.8551                 0.8442                 0.8525
 Alpha2 Fr= 1--      0.0004                 0.0011                 0.0003
 Beta2  Fr= 1--      1.0953                 0.4499                 0.3786
 AlphaG Fr= 1--      0.0049                 0.0057                 0.0002
 Gamma2 Fr= 1--      1.5914                -0.9636                -0.9829
 Delta2 Fr= 1--      0.7198                -0.9972                -0.3367
 Raman1 Fr= 1--      30.741                 12.792                 10.660
 ROA1   Fr= 1--     175.807               -124.413               -105.132
 CID1   Fr= 1--       5.719                 -9.726                 -9.862
 Raman2 Fr= 1--      13.144                  5.399                  4.544
 ROA2   Fr= 1--      32.435                -15.148                -20.896
 CID2   Fr= 1--       2.468                 -2.806                 -4.599
 Raman3 Fr= 1--      26.288                 10.799                  9.087
 ROA3   Fr= 1--     175.807               -124.413               -105.132
 CID3   Fr= 1--       6.688                -11.521                -11.569
 RC180  Fr= 1--       0.710                  0.688                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.00  -0.00
     2   6     0.01   0.00  -0.02    -0.02  -0.00   0.02    -0.01  -0.00   0.02
     3   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01   0.00
     5   6    -0.03  -0.02  -0.01     0.02  -0.02  -0.00     0.01  -0.02  -0.01
     6   6     0.00   0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.04   0.01    -0.00   0.01  -0.00
     8   6     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.18  -0.07   0.04     0.22   0.08  -0.04     0.19   0.07  -0.04
    10   1    -0.02   0.03   0.20     0.03  -0.05  -0.22     0.02  -0.03  -0.20
    11   6    -0.00  -0.01  -0.03     0.02  -0.03   0.01     0.00  -0.01  -0.02
    12   6    -0.01  -0.02   0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.01
    13   6     0.01  -0.00   0.02     0.01   0.00   0.03    -0.02  -0.00  -0.05
    14   1    -0.01  -0.00   0.00     0.01   0.00   0.01     0.01   0.01   0.00
    15   1    -0.06   0.04  -0.04    -0.19   0.18  -0.23     0.05  -0.05   0.06
    16   1     0.01   0.09   0.02     0.08   0.33   0.07    -0.03  -0.10  -0.02
    17   1     0.02  -0.09  -0.10    -0.01   0.01   0.02     0.02   0.03   0.04
    18   1    -0.05   0.07   0.04     0.01  -0.01  -0.02     0.02  -0.04   0.01
    19   1    -0.07  -0.13   0.05     0.02   0.03  -0.01     0.02   0.04  -0.02
    20   1    -0.26   0.16   0.19     0.11   0.38   0.03    -0.17   0.21   0.15
    21   1     0.21  -0.03  -0.15    -0.33   0.22  -0.25     0.02   0.04  -0.15
    22   1     0.21   0.13   0.35    -0.12  -0.22   0.03     0.09  -0.01   0.26
    23   1    -0.29   0.08  -0.12    -0.01   0.11   0.05    -0.03   0.38   0.17
    24   1     0.25   0.33  -0.10    -0.02   0.02  -0.10     0.01   0.09  -0.24
    25   1     0.32  -0.12  -0.12    -0.05  -0.02   0.09    -0.11  -0.07   0.31
    26   1    -0.10  -0.08  -0.08    -0.19  -0.14  -0.17     0.26   0.22   0.24
    27   1     0.01   0.07  -0.14     0.01   0.13  -0.25    -0.03  -0.18   0.37
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1533.0671              1811.5935              3034.1187
 Red. masses --      1.0897                12.3153                 1.0356
 Frc consts  --      1.5090                23.8131                 5.6172
 IR Inten    --      6.7608               201.4254                26.9812
 RamAct Fr= 1--      5.7609                14.1676               136.5362
  Dep-P Fr= 1--      0.6130                 0.7231                 0.0189
  Dep-U Fr= 1--      0.7601                 0.8393                 0.0370
 Alpha2 Fr= 1--      0.0145                 0.0066                 2.9030
 Beta2  Fr= 1--      0.7298                 1.9818                 0.8430
 AlphaG Fr= 1--      0.0356                 0.0062                -0.1860
 Gamma2 Fr= 1--      0.8850                -0.5503                -0.1484
 Delta2 Fr= 1--      0.1142                 2.0761                 0.1090
 Raman1 Fr= 1--      23.044                 56.670                546.145
 ROA1   Fr= 1--      88.616                 13.603                -10.759
 CID1   Fr= 1--       3.846                  0.240                 -0.020
 Raman2 Fr= 1--       8.758                 23.781                 10.116
 ROA2   Fr= 1--      20.327                -29.817                 -4.434
 CID2   Fr= 1--       2.321                 -1.254                 -0.438
 Raman3 Fr= 1--      17.516                 47.563                 20.232
 ROA3   Fr= 1--      88.616                 13.603                -10.759
 CID3   Fr= 1--       5.059                  0.286                 -0.532
 RC180  Fr= 1--       0.520                  0.679                 -0.926
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.00    -0.01  -0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.02  -0.01   0.02    -0.00  -0.02   0.01     0.01   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.05   0.71   0.38     0.00   0.00   0.00
     4   8    -0.00   0.00   0.00    -0.03  -0.46  -0.25     0.00  -0.00  -0.00
     5   6    -0.01   0.02   0.01    -0.01  -0.04  -0.02    -0.00  -0.00  -0.00
     6   6     0.01  -0.01  -0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
     7   6     0.01  -0.05   0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.04   0.02  -0.01
     9   1     0.20   0.08  -0.04     0.03   0.05  -0.01     0.01   0.02   0.05
    10   1     0.02  -0.03  -0.22    -0.02   0.03  -0.07    -0.07  -0.03  -0.01
    11   6    -0.01   0.01  -0.01     0.01   0.01  -0.01     0.00   0.00  -0.00
    12   6    -0.01   0.01   0.02     0.01   0.00   0.01    -0.00   0.00  -0.00
    13   6    -0.01   0.00  -0.04    -0.00  -0.02  -0.02     0.00   0.00   0.00
    14   1    -0.01  -0.02  -0.02     0.01  -0.03  -0.03    -0.00   0.00  -0.00
    15   1    -0.24   0.24  -0.31    -0.00   0.01  -0.02     0.01   0.02   0.01
    16   1     0.12   0.44   0.09    -0.00   0.01   0.01    -0.01   0.00  -0.01
    17   1     0.01   0.01   0.02     0.04   0.03   0.01    -0.08  -0.40   0.37
    18   1     0.01  -0.02  -0.00     0.07  -0.10  -0.01     0.51   0.36   0.17
    19   1     0.01   0.01  -0.01     0.03   0.04   0.02     0.08  -0.21  -0.45
    20   1    -0.05  -0.15  -0.01    -0.03   0.01   0.01     0.01  -0.00   0.02
    21   1     0.11  -0.09   0.11    -0.06   0.03   0.03    -0.01  -0.02  -0.01
    22   1     0.05   0.08  -0.01    -0.04  -0.09   0.04    -0.02   0.02   0.01
    23   1    -0.08  -0.24  -0.16    -0.04   0.03   0.01    -0.02  -0.01   0.03
    24   1     0.05   0.02   0.12    -0.05  -0.02  -0.10     0.05  -0.04  -0.02
    25   1     0.15   0.03  -0.26    -0.04   0.04   0.02     0.02   0.03   0.01
    26   1     0.20   0.16   0.18     0.01   0.03   0.03     0.01   0.03  -0.03
    27   1    -0.01  -0.15   0.28    -0.03  -0.02   0.01    -0.04  -0.04  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.8600              3038.9537              3048.8986
 Red. masses --      1.0371                 1.0381                 1.0611
 Frc consts  --      5.6277                 5.6486                 5.8113
 IR Inten    --     16.4192                30.2370                29.7630
 RamAct Fr= 1--      7.6580               296.9491                85.5593
  Dep-P Fr= 1--      0.6543                 0.0336                 0.2515
  Dep-U Fr= 1--      0.7910                 0.0651                 0.4019
 Alpha2 Fr= 1--      0.0131                 6.0976                 1.0098
 Beta2  Fr= 1--      1.0096                 3.2222                 5.7311
 AlphaG Fr= 1--     -0.0384                -0.5289                -0.6583
 Gamma2 Fr= 1--     -1.1063                 1.7190                 6.7886
 Delta2 Fr= 1--     -0.3374                 0.0744                -5.4287
 Raman1 Fr= 1--      30.632               1187.796                342.237
 ROA1   Fr= 1--    -116.999                167.405                477.990
 CID1   Fr= 1--      -3.819                  0.141                  1.397
 Raman2 Fr= 1--      12.115                 38.666                 68.773
 ROA2   Fr= 1--     -23.851                 40.662                206.356
 CID2   Fr= 1--      -1.969                  1.052                  3.001
 Raman3 Fr= 1--      24.231                 77.332                137.545
 ROA3   Fr= 1--    -116.999                167.405                477.990
 CID3   Fr= 1--      -4.829                  2.165                  3.475
 RC180  Fr= 1--       0.582                 -0.870                 -0.196
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.05  -0.01   0.04
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.03   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.08  -0.16  -0.49
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.68   0.32   0.08
    11   6    -0.03  -0.01   0.02    -0.02  -0.01   0.02    -0.00   0.00  -0.00
    12   6     0.03  -0.01   0.01    -0.03   0.02  -0.02    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1    -0.01   0.01   0.01    -0.02   0.02   0.02    -0.03   0.03   0.03
    15   1    -0.01  -0.01  -0.01     0.01   0.02   0.01    -0.14  -0.28  -0.13
    16   1     0.02  -0.01   0.02    -0.02   0.01  -0.03     0.08  -0.03   0.10
    17   1    -0.01  -0.04   0.03     0.00   0.02  -0.01    -0.01  -0.05   0.04
    18   1     0.05   0.03   0.02    -0.02  -0.01  -0.01     0.04   0.03   0.01
    19   1     0.01  -0.02  -0.04    -0.00   0.01   0.02     0.01  -0.02  -0.04
    20   1    -0.20   0.07  -0.30    -0.16   0.05  -0.24     0.00  -0.00   0.00
    21   1     0.12   0.34   0.15     0.09   0.26   0.11     0.00   0.00   0.00
    22   1     0.45  -0.33  -0.14     0.34  -0.25  -0.11     0.01  -0.01  -0.00
    23   1     0.14   0.10  -0.19    -0.18  -0.13   0.26    -0.00  -0.00   0.00
    24   1    -0.33   0.30   0.13     0.43  -0.38  -0.16     0.02  -0.02  -0.01
    25   1    -0.12  -0.25  -0.09     0.15   0.32   0.11     0.01   0.01   0.01
    26   1    -0.01  -0.04   0.04    -0.02  -0.04   0.05     0.01   0.03  -0.03
    27   1     0.02   0.02   0.01     0.04   0.05   0.02    -0.03  -0.03  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.5550              3061.7970              3084.8753
 Red. masses --      1.0620                 1.0691                 1.0961
 Frc consts  --      5.8416                 5.9050                 6.1455
 IR Inten    --     27.6999                35.1386                13.8919
 RamAct Fr= 1--    100.0202               236.2006               139.0157
  Dep-P Fr= 1--      0.1594                 0.1059                 0.3015
  Dep-U Fr= 1--      0.2750                 0.1916                 0.4634
 Alpha2 Fr= 1--      1.5095                 4.0759                 1.4193
 Beta2  Fr= 1--      4.5849                 7.5408                10.7355
 AlphaG Fr= 1--      1.5555                -0.1300                 1.5633
 Gamma2 Fr= 1--     20.3892               -18.1225                21.6096
 Delta2 Fr= 1--      8.3011                -5.3057                 9.2533
 Raman1 Fr= 1--     400.081                944.802                556.063
 ROA1   Fr= 1--    2222.998              -1909.539               2370.629
 CID1   Fr= 1--       5.556                 -2.021                  4.263
 Raman2 Fr= 1--      55.019                 90.490                128.826
 ROA2   Fr= 1--     422.932               -392.494                444.604
 CID2   Fr= 1--       7.687                 -4.337                  3.451
 Raman3 Fr= 1--     110.037                180.980                257.652
 ROA3   Fr= 1--    2222.998              -1909.539               2370.629
 CID3   Fr= 1--      20.202                -10.551                  9.201
 RC180  Fr= 1--      -0.450                 -0.617                 -0.073
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.01   0.00   0.03    -0.03  -0.03  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.01    -0.01   0.01   0.01    -0.04   0.03   0.04
     7   6     0.00   0.02   0.00    -0.01  -0.06  -0.01     0.01   0.01   0.02
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1     0.01   0.02   0.05    -0.05  -0.11  -0.34     0.06   0.15   0.49
    10   1    -0.02  -0.01  -0.00     0.16   0.08   0.02     0.32   0.15   0.02
    11   6     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   6    -0.03  -0.02  -0.05    -0.01  -0.00  -0.01     0.01   0.01   0.01
    14   1     0.06  -0.06  -0.07     0.17  -0.16  -0.17     0.42  -0.40  -0.43
    15   1    -0.11  -0.22  -0.11     0.32   0.65   0.31    -0.05  -0.11  -0.05
    16   1     0.05  -0.01   0.06    -0.16   0.05  -0.19    -0.12   0.05  -0.14
    17   1    -0.01  -0.03   0.03    -0.00  -0.02   0.01    -0.00  -0.02   0.02
    18   1     0.03   0.02   0.01     0.02   0.01   0.01    -0.04  -0.03  -0.01
    19   1     0.01  -0.02  -0.03     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.00  -0.01    -0.01   0.00  -0.02
    21   1    -0.01  -0.05  -0.02    -0.00  -0.00  -0.00     0.02   0.04   0.02
    22   1    -0.08   0.06   0.03    -0.02   0.02   0.01     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.01    -0.00  -0.00   0.01    -0.02  -0.02   0.04
    24   1    -0.01   0.01   0.00    -0.03   0.03   0.01    -0.01   0.01   0.00
    25   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
    26   1    -0.12  -0.31   0.34    -0.03  -0.09   0.10     0.00   0.01  -0.01
    27   1     0.53   0.55   0.26     0.13   0.13   0.06    -0.09  -0.09  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.6215              3094.9777              3097.2986
 Red. masses --      1.0929                 1.1018                 1.1015
 Frc consts  --      6.1389                 6.2183                 6.2257
 IR Inten    --     40.2239                18.2200                12.1475
 RamAct Fr= 1--    182.6094                66.3368                57.7324
  Dep-P Fr= 1--      0.0849                 0.7168                 0.7285
  Dep-U Fr= 1--      0.1566                 0.8351                 0.8430
 Alpha2 Fr= 1--      3.3167                 0.0380                 0.0212
 Beta2  Fr= 1--      4.7654                 9.2325                 8.1109
 AlphaG Fr= 1--     -0.7126                -0.1398                -0.1696
 Gamma2 Fr= 1--    -34.7710                16.3217                16.8331
 Delta2 Fr= 1--    -17.3027                10.0500                 4.9701
 Raman1 Fr= 1--     730.438                265.347                230.930
 ROA1   Fr= 1--   -3891.707               1888.489               1775.023
 CID1   Fr= 1--      -5.328                  7.117                  7.686
 Raman2 Fr= 1--      57.185                110.790                 97.331
 ROA2   Fr= 1--    -696.083                311.322                364.234
 CID2   Fr= 1--     -12.173                  2.810                  3.742
 Raman3 Fr= 1--     114.369                221.581                194.662
 ROA3   Fr= 1--   -3891.707               1888.489               1775.023
 CID3   Fr= 1--     -34.028                  8.523                  9.118
 RC180  Fr= 1--      -0.687                  0.670                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.04  -0.03  -0.04    -0.01  -0.01  -0.01     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.03  -0.03  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.02   0.01     0.00  -0.00   0.00     0.01   0.00   0.01
     8   6     0.01   0.01   0.00    -0.05  -0.07   0.01    -0.01  -0.02  -0.00
     9   1     0.05   0.14   0.46     0.01   0.03   0.09    -0.00  -0.00  -0.01
    10   1     0.40   0.18   0.03     0.09   0.04   0.01    -0.01  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.05   0.06  -0.01
    12   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.02
    13   6    -0.01  -0.01  -0.01     0.01   0.02  -0.01    -0.02  -0.04   0.02
    14   1    -0.36   0.34   0.36    -0.04   0.04   0.04     0.04  -0.04  -0.04
    15   1     0.09   0.17   0.08     0.01   0.01   0.01    -0.02  -0.03  -0.01
    16   1    -0.19   0.08  -0.23    -0.03   0.01  -0.04    -0.05   0.02  -0.06
    17   1    -0.01  -0.07   0.07     0.07   0.47  -0.44     0.01   0.09  -0.09
    18   1    -0.08  -0.05  -0.03     0.54   0.37   0.19     0.12   0.08   0.04
    19   1     0.01  -0.02  -0.04    -0.04   0.05   0.15    -0.01   0.02   0.05
    20   1     0.01  -0.00   0.02    -0.05   0.02  -0.08     0.25  -0.07   0.39
    21   1    -0.02  -0.04  -0.02     0.01   0.01   0.01    -0.12  -0.28  -0.13
    22   1    -0.00  -0.00   0.00    -0.07   0.05   0.02     0.43  -0.30  -0.14
    23   1    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.08  -0.07   0.11
    24   1    -0.04   0.04   0.01     0.00  -0.00  -0.00    -0.13   0.12   0.05
    25   1    -0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.08   0.15   0.05
    26   1    -0.00  -0.01   0.01    -0.04  -0.12   0.14     0.09   0.25  -0.29
    27   1     0.09   0.09   0.05    -0.06  -0.06  -0.03     0.18   0.18   0.10
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3101.2637              3102.0487              3104.8809
 Red. masses --      1.0998                 1.1009                 1.1006
 Frc consts  --      6.2323                 6.2419                 6.2513
 IR Inten    --     15.4840                19.1886                28.9548
 RamAct Fr= 1--     91.2847                57.6761                92.1832
  Dep-P Fr= 1--      0.7424                 0.7223                 0.6818
  Dep-U Fr= 1--      0.8522                 0.8388                 0.8108
 Alpha2 Fr= 1--      0.0117                 0.0275                 0.1108
 Beta2  Fr= 1--     12.9652                 8.0630                12.4568
 AlphaG Fr= 1--     -0.0431                -0.1877                -0.0912
 Gamma2 Fr= 1--    -15.0204               -16.4660               -35.2631
 Delta2 Fr= 1--    -17.0119                -8.3170                 0.5390
 Raman1 Fr= 1--     365.139                230.704                368.733
 ROA1   Fr= 1--   -1986.338              -1846.883              -3368.015
 CID1   Fr= 1--      -5.440                 -8.005                 -9.134
 Raman2 Fr= 1--     155.583                 96.756                149.482
 ROA2   Fr= 1--    -224.395               -328.649               -850.627
 CID2   Fr= 1--      -1.442                 -3.397                 -5.690
 Raman3 Fr= 1--     311.166                193.511                298.964
 ROA3   Fr= 1--   -1986.338              -1846.883              -3368.015
 CID3   Fr= 1--      -6.384                 -9.544                -11.266
 RC180  Fr= 1--       0.704                  0.678                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.02
     8   6     0.00   0.01   0.02     0.00  -0.01  -0.09    -0.00  -0.01   0.01
     9   1    -0.01  -0.02  -0.06     0.00  -0.00   0.00    -0.01  -0.02  -0.07
    10   1    -0.04  -0.02  -0.00    -0.01  -0.00  -0.00    -0.06  -0.02  -0.00
    11   6     0.01   0.01   0.02     0.01  -0.00   0.00     0.01  -0.06  -0.02
    12   6     0.03  -0.06  -0.05     0.01  -0.01  -0.01     0.02  -0.01  -0.02
    13   6     0.02   0.03  -0.01     0.00   0.00  -0.00    -0.02  -0.04   0.02
    14   1    -0.02   0.02   0.02    -0.01   0.01   0.01     0.00   0.00   0.00
    15   1    -0.02  -0.05  -0.02    -0.01  -0.02  -0.01    -0.04  -0.08  -0.04
    16   1    -0.04   0.02  -0.05    -0.03   0.01  -0.03    -0.14   0.06  -0.17
    17   1     0.01   0.03  -0.02    -0.06  -0.35   0.31     0.01   0.07  -0.06
    18   1    -0.09  -0.06  -0.03     0.18   0.13   0.04     0.03   0.02   0.01
    19   1     0.04  -0.08  -0.17    -0.15   0.35   0.72     0.01  -0.02  -0.05
    20   1    -0.09   0.03  -0.14    -0.04   0.01  -0.06    -0.03  -0.00  -0.05
    21   1    -0.05  -0.14  -0.06     0.00   0.01   0.00     0.18   0.48   0.20
    22   1    -0.02   0.02   0.01    -0.04   0.03   0.01    -0.30   0.20   0.09
    23   1    -0.17  -0.15   0.26    -0.04  -0.04   0.07    -0.14  -0.11   0.21
    24   1    -0.39   0.34   0.13    -0.09   0.08   0.03    -0.15   0.14   0.05
    25   1     0.25   0.48   0.16     0.05   0.10   0.04     0.04   0.07   0.02
    26   1    -0.08  -0.21   0.24    -0.01  -0.02   0.02     0.12   0.32  -0.38
    27   1    -0.14  -0.14  -0.08    -0.02  -0.01  -0.01     0.18   0.18   0.10
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3111.3452              3117.0360              3120.4785
 Red. masses --      1.1012                 1.1003                 1.0984
 Frc consts  --      6.2809                 6.2987                 6.3014
 IR Inten    --     38.7663                35.5906                19.9238
 RamAct Fr= 1--     47.3243                49.8318               101.4548
  Dep-P Fr= 1--      0.3859                 0.7411                 0.6616
  Dep-U Fr= 1--      0.5568                 0.8513                 0.7963
 Alpha2 Fr= 1--      0.3684                 0.0075                 0.1599
 Beta2  Fr= 1--      4.3921                 7.0706                13.4655
 AlphaG Fr= 1--     -0.2844                -0.0328                -0.1302
 Gamma2 Fr= 1--     15.5495                29.0833                 3.6158
 Delta2 Fr= 1--      0.6567                13.8382                 4.6447
 Raman1 Fr= 1--     189.297                199.327                405.819
 ROA1   Fr= 1--    1513.764               3234.824                495.742
 CID1   Fr= 1--       7.997                 16.229                  1.222
 Raman2 Fr= 1--      52.705                 84.847                161.586
 ROA2   Fr= 1--     367.934                587.295                 49.621
 CID2   Fr= 1--       6.981                  6.922                  0.307
 Raman3 Fr= 1--     105.410                169.694                323.172
 ROA3   Fr= 1--    1513.764               3234.824                495.742
 CID3   Fr= 1--      14.361                 19.063                  1.534
 RC180  Fr= 1--       0.114                  0.703                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.04  -0.00  -0.05    -0.01  -0.00  -0.01    -0.03   0.00  -0.04
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.02   0.06   0.19     0.00   0.01   0.04     0.01   0.04   0.12
    10   1     0.13   0.06   0.01     0.03   0.01   0.00     0.08   0.04   0.01
    11   6     0.01  -0.01   0.00    -0.05  -0.03  -0.06     0.01   0.00   0.01
    12   6    -0.03  -0.05   0.01     0.00  -0.00  -0.01     0.05   0.04  -0.03
    13   6    -0.01  -0.02   0.01     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1     0.02  -0.02  -0.02    -0.02   0.02   0.02     0.00  -0.00  -0.00
    15   1     0.10   0.21   0.09     0.03   0.06   0.02     0.07   0.16   0.07
    16   1     0.38  -0.16   0.46     0.11  -0.05   0.13     0.34  -0.15   0.41
    17   1     0.00   0.02  -0.02    -0.00  -0.02   0.02     0.00   0.00  -0.00
    18   1     0.03   0.02   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.00   0.00   0.01    -0.00   0.01   0.01    -0.00   0.00   0.01
    20   1    -0.05   0.02  -0.08     0.38  -0.13   0.58    -0.06   0.02  -0.09
    21   1     0.03   0.06   0.03     0.17   0.48   0.19    -0.03  -0.08  -0.03
    22   1    -0.06   0.05   0.02     0.03  -0.04  -0.03    -0.00   0.00   0.00
    23   1     0.19   0.14  -0.29    -0.04  -0.03   0.05    -0.34  -0.26   0.51
    24   1    -0.05   0.03   0.02    -0.04   0.03   0.01    -0.06   0.07   0.02
    25   1     0.20   0.42   0.16     0.02   0.04   0.02    -0.16  -0.34  -0.13
    26   1     0.05   0.15  -0.17    -0.08  -0.23   0.26     0.01   0.03  -0.04
    27   1     0.09   0.09   0.05    -0.09  -0.09  -0.05     0.02   0.02   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1156.156871542.294241871.71619
           X            0.99996  -0.00882   0.00167
           Y            0.00891   0.99756  -0.06919
           Z           -0.00106   0.06920   0.99760
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07492     0.05616     0.04628
 Rotational constants (GHZ):           1.56098     1.17017     0.96422
 Zero-point vibrational energy     632687.8 (Joules/Mol)
                                  151.21600 (Kcal/Mol)
 Warning -- explicit consideration of  16 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    123.56   264.55   276.93   290.50   304.01
          (Kelvin)            332.22   376.92   423.95   433.83   472.42
                              536.75   612.47   648.87   737.32   755.60
                              863.33   958.09  1042.86  1135.21  1196.03
                             1207.25  1218.89  1288.70  1294.34  1352.41
                             1372.70  1388.73  1394.71  1451.33  1465.85
                             1486.56  1499.62  1572.32  1621.13  1633.25
                             1695.23  1717.33  1757.98  1783.79  1796.63
                             1824.26  1837.51  1862.55  1902.68  1937.48
                             1958.19  2012.29  2040.55  2046.25  2133.91
                             2142.35  2143.90  2151.51  2159.73  2161.32
                             2172.23  2180.65  2205.74  2606.48  4365.42
                             4366.49  4372.38  4386.69  4396.26  4405.24
                             4438.45  4442.40  4452.98  4456.32  4462.03
                             4463.16  4467.23  4476.53  4484.72  4489.67
 
 Zero-point correction=                           0.240978 (Hartree/Particle)
 Thermal correction to Energy=                    0.251725
 Thermal correction to Enthalpy=                  0.252669
 Thermal correction to Gibbs Free Energy=         0.206044
 Sum of electronic and zero-point Energies=           -465.911457
 Sum of electronic and thermal Energies=              -465.900710
 Sum of electronic and thermal Enthalpies=            -465.899766
 Sum of electronic and thermal Free Energies=         -465.946392
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.960             43.409             98.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.591
 Vibrational            156.182             37.447             27.572
 Vibration     1          0.601              1.959              3.752
 Vibration     2          0.631              1.862              2.289
 Vibration     3          0.634              1.850              2.204
 Vibration     4          0.639              1.837              2.116
 Vibration     5          0.643              1.824              2.032
 Vibration     6          0.653              1.794              1.872
 Vibration     7          0.669              1.742              1.649
 Vibration     8          0.689              1.684              1.447
 Vibration     9          0.694              1.671              1.408
 Vibration    10          0.712              1.619              1.268
 Vibration    11          0.744              1.527              1.067
 Vibration    12          0.788              1.414              0.873
 Vibration    13          0.810              1.359              0.793
 Vibration    14          0.868              1.222              0.628
 Vibration    15          0.880              1.194              0.598
 Vibration    16          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.168493D-94        -94.773418       -218.223859
 Total V=0       0.117135D+17         16.068688         36.999522
 Vib (Bot)       0.349374-108       -108.456709       -249.730801
 Vib (Bot)    1  0.239572D+01          0.379437          0.873685
 Vib (Bot)    2  0.109088D+01          0.037776          0.086983
 Vib (Bot)    3  0.103889D+01          0.016570          0.038154
 Vib (Bot)    4  0.986818D+00         -0.005763         -0.013270
 Vib (Bot)    5  0.939482D+00         -0.027111         -0.062426
 Vib (Bot)    6  0.852655D+00         -0.069227         -0.159400
 Vib (Bot)    7  0.740708D+00         -0.130353         -0.300148
 Vib (Bot)    8  0.647342D+00         -0.188866         -0.434880
 Vib (Bot)    9  0.630166D+00         -0.200545         -0.461772
 Vib (Bot)   10  0.569620D+00         -0.244415         -0.562786
 Vib (Bot)   11  0.486998D+00         -0.312473         -0.719495
 Vib (Bot)   12  0.410684D+00         -0.386493         -0.889932
 Vib (Bot)   13  0.379939D+00         -0.420286         -0.967744
 Vib (Bot)   14  0.317150D+00         -0.498735         -1.148381
 Vib (Bot)   15  0.305900D+00         -0.514421         -1.184498
 Vib (Bot)   16  0.248834D+00         -0.604090         -1.390969
 Vib (V=0)       0.242883D+03          2.385397          5.492579
 Vib (V=0)    1  0.294734D+01          0.469431          1.080904
 Vib (V=0)    2  0.170001D+01          0.230451          0.530632
 Vib (V=0)    3  0.165295D+01          0.218260          0.502562
 Vib (V=0)    4  0.160626D+01          0.205816          0.473908
 Vib (V=0)    5  0.156425D+01          0.194306          0.447406
 Vib (V=0)    6  0.148844D+01          0.172732          0.397731
 Vib (V=0)    7  0.139367D+01          0.144160          0.331942
 Vib (V=0)    8  0.131796D+01          0.119901          0.276082
 Vib (V=0)    9  0.130443D+01          0.115421          0.265767
 Vib (V=0)   10  0.125794D+01          0.099658          0.229472
 Vib (V=0)   11  0.119797D+01          0.078447          0.180631
 Vib (V=0)   12  0.114704D+01          0.059579          0.137185
 Vib (V=0)   13  0.112798D+01          0.052300          0.120425
 Vib (V=0)   14  0.109210D+01          0.038263          0.088104
 Vib (V=0)   15  0.108615D+01          0.035891          0.082642
 Vib (V=0)   16  0.105850D+01          0.024689          0.056850
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.653970D+06          5.815558         13.390816
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000037599    0.000019168   -0.000005098
      2        6          -0.000002106    0.000008803   -0.000002381
      3        6          -0.000016150   -0.000039130    0.000016469
      4        8          -0.000004764    0.000001143   -0.000001256
      5        6           0.000011724    0.000019384   -0.000017198
      6        6           0.000002633   -0.000014174    0.000000313
      7        6          -0.000022461   -0.000025110    0.000014448
      8        6          -0.000006918    0.000008412   -0.000001871
      9        1           0.000016720    0.000003054   -0.000003343
     10        1           0.000003337    0.000002564   -0.000004853
     11        6          -0.000007239    0.000010104   -0.000002703
     12        6          -0.000001933   -0.000002322    0.000007317
     13        6          -0.000007911    0.000004980   -0.000010840
     14        1          -0.000003652   -0.000005885   -0.000005214
     15        1           0.000002695    0.000002058    0.000002364
     16        1           0.000003865    0.000000601   -0.000006832
     17        1           0.000000506   -0.000000629    0.000000907
     18        1          -0.000007328    0.000003835    0.000001678
     19        1          -0.000003484   -0.000001810   -0.000000522
     20        1          -0.000012374   -0.000001121    0.000004398
     21        1           0.000005471    0.000002947    0.000002104
     22        1          -0.000001534   -0.000001014    0.000001089
     23        1          -0.000001276   -0.000000580    0.000002169
     24        1           0.000007468    0.000001108    0.000001121
     25        1          -0.000002820   -0.000001290    0.000001659
     26        1           0.000010146    0.000001056    0.000010378
     27        1          -0.000000218    0.000003848   -0.000004305
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039130 RMS     0.000009953
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129322D+03  0.210864D+00 -0.596672D+00
      2   0.210864D+00  0.118206D+03  0.630548D+00
      3  -0.596672D+00  0.630548D+00  0.108819D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.179437D+01  0.851884D+01 -0.134316D+02
      2  -0.818213D+01 -0.223159D+00 -0.374893D+01
      3   0.168990D+02 -0.468362D+01 -0.238717D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.750856D+00 -0.209487D+02  0.327742D+00
      2   0.850905D+01  0.324255D+02 -0.254729D+02
      3  -0.775820D+01 -0.114768D+02  0.251451D+02
      4   0.921866D+01  0.111282D+02  0.282620D+01
      5   0.144812D+02  0.204448D+01 -0.139171D+02
      6   0.183049D+01 -0.922364D+01  0.167976D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.508260D+01  0.406920D+01  0.754127D+00  0.460025D+01 -0.663877D+00
      2   0.406920D+01 -0.294130D+00  0.123634D+01 -0.663877D+00 -0.431774D+01
      3   0.754127D+00  0.123634D+01  0.262597D+01  0.154907D+01  0.127823D+01
                 6             7             8             9            10 
      1   0.154907D+01  0.247504D+01  0.242787D+01  0.154329D+01 -0.492331D+01
      2   0.127823D+01  0.242787D+01  0.229003D+01 -0.396980D+01 -0.510070D+01
      3  -0.413907D+01  0.154329D+01 -0.396980D+01 -0.163621D+01 -0.678726D-01
                11            12            13            14            15 
      1  -0.510070D+01 -0.678726D-01 -0.415002D+01  0.284115D+00  0.369994D+00
      2  -0.591793D+00  0.521681D+00  0.284115D+00  0.233801D+01 -0.168630D+01
      3   0.521681D+00  0.792273D+00  0.369994D+00 -0.168630D+01  0.298935D+01
                16            17            18            19            20 
      1  -0.221630D+01  0.356965D-01 -0.723436D+00 -0.104760D+01 -0.213846D+01
      2   0.356965D-01 -0.361639D+01  0.281963D+01 -0.213846D+01  0.221027D+01
      3  -0.723436D+00  0.281963D+01  0.447119D+01 -0.117564D+01  0.533419D+00
                21            22            23            24            25 
      1  -0.117564D+01 -0.760886D+01  0.230250D+01  0.490037D+00 -0.392225D+01
      2   0.533419D+00  0.230250D+01  0.419594D+01  0.213833D+01  0.672644D+00
      3  -0.565490D+00  0.490037D+00  0.213833D+01  0.243457D+00 -0.999011D+00
                26            27            28            29            30 
      1   0.672644D+00 -0.999011D+00 -0.175779D+00 -0.218716D+01 -0.102512D+01
      2   0.230463D+01  0.182897D+01 -0.218716D+01 -0.325258D+00 -0.127972D+00
      3   0.182897D+01  0.746954D+00 -0.102512D+01 -0.127972D+00 -0.983677D-01
                31            32            33            34            35 
      1   0.550694D+00 -0.611468D+00 -0.161524D+00  0.335048D-01 -0.353005D+00
      2  -0.611468D+00 -0.116508D+02 -0.368350D+01 -0.353005D+00 -0.352815D+01
      3  -0.161524D+00 -0.368350D+01 -0.199700D+01  0.174330D+00 -0.392869D+01
                36            37            38            39            40 
      1   0.174330D+00 -0.410958D+01  0.111424D+01  0.768907D+00  0.313073D+01
      2  -0.392869D+01  0.111424D+01 -0.272090D+01 -0.296559D+01 -0.424937D+01
      3  -0.373340D+01  0.768907D+00 -0.296559D+01  0.270749D+01 -0.461992D+01
                41            42            43            44            45 
      1  -0.424937D+01 -0.461992D+01  0.152687D+01 -0.418220D+01  0.369550D+01
      2  -0.137947D+01 -0.113015D+01 -0.418220D+01 -0.212504D+01  0.287934D+00
      3  -0.113015D+01  0.115934D+01  0.369550D+01  0.287934D+00 -0.242948D+00
                46            47            48            49            50 
      1   0.167981D+01  0.590870D+00 -0.197466D+01  0.502901D+00  0.365734D+01
      2   0.590870D+00  0.234196D+01  0.441375D+01  0.365734D+01  0.645772D+00
      3  -0.197466D+01  0.441375D+01 -0.640203D+00  0.533817D+01 -0.776506D-01
                51            52            53            54            55 
      1   0.533817D+01 -0.143564D+01  0.509185D+01  0.193433D+00  0.151382D+00
      2  -0.776506D-01  0.509185D+01  0.106136D+01 -0.236696D+01  0.111064D+00
      3  -0.967312D+00  0.193433D+00 -0.236696D+01 -0.287273D+00  0.116164D+01
                56            57            58            59            60 
      1   0.111064D+00  0.116164D+01  0.127896D+01 -0.238596D+01 -0.292196D+01
      2  -0.241954D+01 -0.336482D+01 -0.238596D+01 -0.368873D+01 -0.117793D+01
      3  -0.336482D+01  0.184938D+01 -0.292196D+01 -0.117793D+01  0.449648D+00
                61            62            63            64            65 
      1   0.889982D+00 -0.360655D+01  0.260686D+01 -0.290929D+01 -0.408680D+01
      2  -0.360655D+01 -0.189253D+01 -0.104507D+01 -0.408680D+01  0.375115D+00
      3   0.260686D+01 -0.104507D+01  0.440743D+00 -0.867854D+00 -0.156081D+01
                66            67            68            69            70 
      1  -0.867854D+00 -0.439204D+01 -0.985664D+00 -0.167320D+01 -0.480454D+00
      2  -0.156081D+01 -0.985664D+00  0.278422D+01 -0.184191D+01 -0.194089D+01
      3  -0.135994D+01 -0.167320D+01 -0.184191D+01  0.431643D+01 -0.230557D+01
                71            72            73            74            75 
      1  -0.194089D+01 -0.230557D+01  0.578974D+00  0.295141D+00 -0.864583D+00
      2  -0.198753D+01  0.451493D+01  0.295141D+00 -0.144993D+00 -0.254896D-01
      3   0.451493D+01  0.189768D+01 -0.864583D+00 -0.254896D-01 -0.423828D+00
                76            77            78            79            80 
      1  -0.626756D-01  0.270948D+00  0.390018D+00 -0.131888D+01  0.725685D-01
      2   0.270948D+00 -0.630121D+00 -0.820256D+00  0.725685D-01 -0.985409D+00
      3   0.390018D+00 -0.820256D+00 -0.208141D+01  0.120765D+01 -0.457718D+00
                81            82            83            84            85 
      1   0.120765D+01  0.916357D+01  0.376204D+01 -0.129209D+01  0.281683D+01
      2  -0.457718D+00  0.376204D+01  0.296013D+01 -0.772550D+00  0.197773D+01
      3  -0.824652D+01 -0.129209D+01 -0.772550D+00  0.107898D+01 -0.525450D+00
                86            87            88            89            90 
      1   0.197773D+01 -0.525450D+00  0.834189D+00  0.281906D+00  0.100741D+01
      2   0.205995D+01 -0.255058D+00  0.281906D+00  0.784219D+00  0.305027D+00
      3  -0.255058D+00  0.284803D+00  0.100741D+01  0.305027D+00 -0.597630D+00
                91            92            93            94            95 
      1   0.343505D+01 -0.197118D+01 -0.164447D+01 -0.359351D+01  0.358969D+01
      2  -0.197118D+01  0.198289D+01  0.339809D+01  0.358969D+01  0.331749D+01
      3  -0.164447D+01  0.339809D+01 -0.329146D+01  0.436262D+01  0.995028D+00
                96            97            98            99           100 
      1   0.436262D+01 -0.227580D+00  0.359357D+01 -0.347371D+01  0.304877D+01
      2   0.995028D+00  0.359357D+01  0.231294D+01 -0.342708D-01 -0.188015D+01
      3  -0.128342D+01 -0.347371D+01 -0.342708D-01 -0.165193D+01 -0.373125D+00
               101           102           103           104           105 
      1  -0.188015D+01 -0.373125D+00 -0.180922D+01  0.456151D+01  0.335304D+01
      2   0.312264D+01  0.262863D+01  0.456151D+01  0.109502D+01  0.210435D+01
      3   0.262863D+01 -0.381505D+01  0.335304D+01  0.210435D+01 -0.416306D+00
               106           107           108           109           110 
      1  -0.178540D+01  0.364024D+01 -0.345476D+01 -0.961439D+00 -0.330627D+01
      2   0.364024D+01  0.125220D+01 -0.459514D+00 -0.330627D+01 -0.176239D+01
      3  -0.345476D+01 -0.459514D+00  0.131451D+01 -0.174733D+00 -0.445347D+01
               111           112           113           114           115 
      1  -0.174733D+00 -0.351269D+01 -0.199030D+01 -0.437413D+01  0.727603D+00
      2  -0.445347D+01 -0.199030D+01  0.369697D+00 -0.249664D+01 -0.418997D+01
      3  -0.542725D+00 -0.437413D+01 -0.249664D+01  0.333606D+01 -0.118191D+01
               116           117           118           119           120 
      1  -0.418997D+01 -0.118191D+01 -0.422551D+01  0.217821D+01  0.233734D+01
      2  -0.975571D+00  0.379295D+01  0.217821D+01 -0.262242D+01 -0.177152D+01
      3   0.379295D+01 -0.132078D+01  0.233734D+01 -0.177152D+01 -0.199113D+01
               121           122           123           124           125 
      1   0.173889D+01 -0.244003D+01 -0.173472D+01  0.198660D+01 -0.189728D+01
      2  -0.244003D+01  0.400035D+01  0.202687D+01 -0.189728D+01  0.213118D+01
      3  -0.173472D+01  0.202687D+01  0.200199D+01 -0.216533D+01  0.245389D+01
               126           127           128           129           130 
      1  -0.216533D+01  0.145693D+01  0.188070D+01  0.103702D+00  0.153656D+01
      2   0.245389D+01  0.188070D+01  0.312075D+01  0.625396D+00  0.222759D+01
      3   0.347703D+01  0.103702D+00  0.625396D+00  0.235623D+00  0.390167D+00
               131           132           133           134           135 
      1   0.222759D+01  0.390167D+00  0.603466D+00  0.103206D+01  0.206993D+00
      2   0.960684D+01  0.121187D+01  0.103206D+01  0.309325D+01  0.155374D+01
      3   0.121187D+01  0.998005D+00  0.206993D+00  0.155374D+01  0.852521D+00
               136           137           138           139           140 
      1  -0.283628D+01  0.124622D+01 -0.179003D+01  0.595820D+00 -0.102976D+01
      2   0.124622D+01 -0.191133D+01  0.155877D+01 -0.102976D+01  0.277697D+01
      3  -0.179003D+01  0.155877D+01 -0.203143D+01  0.855378D+00 -0.139005D+01
               141           142           143           144           145 
      1   0.855378D+00 -0.205766D+01  0.130737D+01 -0.194645D+01  0.133346D+00
      2  -0.139005D+01  0.130737D+01 -0.224651D+01  0.228482D+01 -0.312460D+00
      3   0.131881D+01 -0.194645D+01  0.228482D+01 -0.375706D+01  0.618509D+00
               146           147           148           149           150 
      1  -0.312460D+00  0.618509D+00 -0.115436D+01  0.158482D+01 -0.471187D+00
      2  -0.395953D+00  0.234498D+00  0.158482D+01 -0.565320D+01  0.282989D+01
      3   0.234498D+00 -0.160610D+00 -0.471187D+00  0.282989D+01 -0.271956D+01
               151           152           153           154           155 
      1   0.160351D+01 -0.891650D+00  0.106138D+01  0.868822D+01  0.160629D+01
      2  -0.891650D+00  0.345261D+01 -0.301614D+01  0.160629D+01  0.121872D+01
      3   0.106138D+01 -0.301614D+01  0.298209D+01  0.155592D+01  0.377452D+00
               156           157           158           159           160 
      1   0.155592D+01  0.477317D+01  0.153414D+01  0.871371D+00  0.203139D+01
      2   0.377452D+00  0.153414D+01  0.143184D+01  0.540075D+00  0.457934D+00
      3   0.122949D+01  0.871371D+00  0.540075D+00  0.496635D+00  0.173200D+01
               161           162           163           164           165 
      1   0.457934D+00  0.173200D+01  0.179202D+01 -0.584377D+00 -0.115989D+01
      2   0.628824D+00 -0.163653D+00 -0.584377D+00  0.694070D+00  0.839369D+00
      3  -0.163653D+00  0.693040D+00 -0.115989D+01  0.839369D+00  0.111414D+01
               166           167           168           169           170 
      1  -0.112729D+01  0.158971D+01  0.108605D+01 -0.323915D+01  0.199234D+01
      2   0.158971D+01 -0.267200D+01 -0.142671D+01  0.199234D+01 -0.237949D+01
      3   0.108605D+01 -0.142671D+01 -0.216472D+01  0.240891D+01 -0.263394D+01
               171           172           173           174           175 
      1   0.240891D+01  0.147799D+01  0.247209D+00  0.114177D+01  0.133478D+00
      2  -0.263394D+01  0.247209D+00  0.667816D+00 -0.952942D+00 -0.336190D-01
      3  -0.493751D+01  0.114177D+01 -0.952942D+00  0.242497D+01 -0.571296D+00
               176           177           178           179           180 
      1  -0.336190D-01 -0.571296D+00  0.161321D+01 -0.244004D+00  0.104100D+01
      2  -0.119895D+01  0.112080D+01 -0.244004D+00  0.117808D+01 -0.162720D+01
      3   0.112080D+01 -0.117695D+01  0.104100D+01 -0.162720D+01  0.632013D+01
               181           182           183           184           185 
      1  -0.244350D+01 -0.172734D+01 -0.153444D-02 -0.277917D+01 -0.347798D+01
      2  -0.172734D+01 -0.213658D+01 -0.402900D+00 -0.347798D+01 -0.649861D+01
      3  -0.153444D-02 -0.402900D+00 -0.115057D+00 -0.147095D+00 -0.100135D+00
               186           187           188           189           190 
      1  -0.147095D+00 -0.138034D+01 -0.127735D+01 -0.112521D+00 -0.782124D+01
      2  -0.100135D+00 -0.127735D+01 -0.169013D+01 -0.698510D+00  0.165121D+01
      3  -0.116970D+01 -0.112521D+00 -0.698510D+00 -0.530123D+00  0.282608D+01
               191           192           193           194           195 
      1   0.165121D+01  0.282608D+01  0.440353D+01 -0.213676D+01 -0.207851D+01
      2  -0.155666D+01 -0.705956D+00 -0.213676D+01  0.135950D+01  0.711280D+00
      3  -0.705956D+00 -0.179454D+01 -0.207851D+01  0.711280D+00  0.175378D+01
               196           197           198           199           200 
      1   0.162017D+01 -0.763025D+00 -0.146575D+01  0.140980D+01  0.878777D+00
      2  -0.763025D+00  0.179323D+00  0.500677D+00  0.878777D+00  0.513235D+00
      3  -0.146575D+01  0.500677D+00  0.175087D+01 -0.720265D+00 -0.782469D+00
               201           202           203           204           205 
      1  -0.720265D+00  0.114084D+01  0.604055D-01 -0.340800D+00 -0.114589D+01
      2  -0.782469D+00  0.604055D-01  0.124433D+01 -0.141163D+01 -0.653064D+00
      3   0.238247D+01 -0.340800D+00 -0.141163D+01  0.175698D+01  0.761642D+00
               206           207           208           209           210 
      1  -0.653064D+00  0.761642D+00 -0.701136D+01  0.303625D+01 -0.363367D+00
      2  -0.149570D+01  0.175923D+01  0.303625D+01 -0.249461D+01 -0.720757D-01
      3   0.175923D+01 -0.577638D+01 -0.363367D+00 -0.720757D-01 -0.768372D+00
               211           212           213           214           215 
      1   0.430189D+01 -0.335652D+01  0.439354D-01  0.205746D+01 -0.103897D+01
      2  -0.335652D+01  0.303405D+01 -0.393504D+00 -0.103897D+01  0.625272D+00
      3   0.439354D-01 -0.393504D+00  0.935937D+00 -0.522775D+00  0.546601D+00
               216           217           218           219           220 
      1  -0.522775D+00 -0.328228D+01 -0.159860D+01 -0.135264D+01 -0.348240D+01
      2   0.546601D+00 -0.159860D+01 -0.187880D+01 -0.108476D+01 -0.287018D+01
      3   0.322649D+00 -0.135264D+01 -0.108476D+01 -0.841540D+00 -0.214814D+01
               221           222           223           224           225 
      1  -0.287018D+01 -0.214814D+01 -0.109430D+01 -0.115383D+01 -0.107050D+01
      2  -0.387465D+01 -0.182011D+01 -0.115383D+01 -0.121424D+01 -0.120541D+01
      3  -0.182011D+01 -0.229134D+01 -0.107050D+01 -0.120541D+01 -0.196081D+01
               226           227           228           229           230 
      1  -0.980612D+00 -0.391738D+00  0.100981D+01 -0.695506D+00  0.299391D-01
      2  -0.391738D+00 -0.179245D+00  0.672150D+00  0.299391D-01 -0.226003D+01
      3   0.100981D+01  0.672150D+00 -0.560466D+00  0.480425D+00  0.245307D+01
               231           232           233           234           235 
      1   0.480425D+00  0.103072D+01  0.374020D+00 -0.135979D+00  0.462934D+01
      2   0.245307D+01  0.374020D+00  0.153197D+01 -0.228925D+01  0.261783D+01
      3  -0.365007D+01 -0.135979D+00 -0.228925D+01  0.640510D+01  0.257007D+01
               236           237           238           239           240 
      1   0.261783D+01  0.257007D+01  0.286319D+01  0.256105D+01  0.218766D+01
      2   0.222700D+01  0.200379D+01  0.256105D+01  0.356427D+01  0.230174D+01
      3   0.200379D+01  0.255943D+01  0.218766D+01  0.230174D+01  0.201561D+01
               241           242           243 
      1   0.127012D+01  0.121171D+01  0.191731D+01
      2   0.121171D+01  0.131080D+01  0.124772D+01
      3   0.191731D+01  0.124772D+01  0.300407D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.528579D+00  0.296782D+01  0.420971D+00  0.540983D+00  0.232194D+01
      2  -0.290608D+01  0.290427D+00  0.129285D+02  0.227866D+01  0.283181D+01
      3  -0.704541D+01 -0.722383D+01 -0.142666D+00  0.320109D+01  0.640580D+01
                 6             7             8             9            10 
      1  -0.481884D+01  0.208780D+01  0.187336D+01 -0.317553D+00  0.601051D+01
      2  -0.733972D+01  0.194105D-01 -0.106977D+02 -0.449141D+01 -0.167368D+01
      3  -0.251985D+01 -0.450138D+01 -0.791487D+01  0.525741D+01  0.100639D+02
                11            12            13            14            15 
      1  -0.185699D+01 -0.195025D+01 -0.165749D+01  0.161805D+01 -0.126338D+01
      2  -0.380516D+00  0.319939D+01 -0.465577D+01 -0.173918D+01  0.673836D+01
      3  -0.500292D+01 -0.162749D+01 -0.292218D+01 -0.370964D+01  0.350035D+01
                16            17            18            19            20 
      1  -0.883837D+00  0.457456D+01 -0.923230D+01 -0.239414D+00 -0.156347D+01
      2  -0.429335D+01  0.879576D+01  0.116539D+02  0.231214D+01  0.316599D+01
      3  -0.606995D+00  0.922958D+01 -0.518377D+01  0.298811D+01  0.225479D+01
                21            22            23            24            25 
      1  -0.164620D+01  0.114321D+01 -0.745017D+01  0.627736D+01 -0.996525D+00
      2  -0.797305D+01  0.102830D+02 -0.138085D+01  0.324642D+01 -0.217334D+02
      3  -0.238896D+01  0.908516D+01 -0.413229D+01  0.775743D+00 -0.851693D+01
                26            27            28            29            30 
      1   0.101489D+02  0.922524D+01 -0.274748D+00  0.820791D+00 -0.181102D+00
      2   0.395902D+01  0.220036D+01 -0.142550D+01 -0.144022D+01  0.357262D+01
      3   0.516267D+00 -0.107719D+01 -0.257110D+00  0.354976D+00  0.192585D+01
                31            32            33            34            35 
      1  -0.462454D+00  0.416004D+01 -0.101383D+02 -0.612403D-01 -0.473732D+00
      2  -0.946394D+01  0.292142D+00  0.181143D+01  0.112080D+01  0.593298D-02
      3   0.120700D+02  0.296495D+01  0.150441D+01  0.956202D+01  0.973787D+00
                36            37            38            39            40 
      1  -0.715696D+01  0.101833D+01 -0.262196D+01  0.320207D+01 -0.630310D+00
      2   0.610256D+00  0.134237D+01  0.394616D+01  0.724047D+00  0.771575D+01
      3   0.116042D+01 -0.668212D+00 -0.128396D+02 -0.566605D+01 -0.304546D+01
                41            42            43            44            45 
      1  -0.171463D+01 -0.640116D+01  0.190514D+01  0.296947D+01 -0.279463D+00
      2   0.443352D+01 -0.519162D+01 -0.939415D+01  0.498788D+00 -0.210861D+01
      3  -0.979757D+00 -0.514970D+01 -0.804230D+01 -0.230065D+01  0.103563D+01
                46            47            48            49            50 
      1   0.411266D+01 -0.530991D+01  0.618282D+01 -0.616880D+01  0.316898D+00
      2   0.219342D+01 -0.216903D+01  0.535435D+01 -0.515308D+01 -0.138109D+01
      3  -0.294806D+01 -0.173711D+01 -0.498536D+00  0.513781D+01  0.515271D+01
                51            52            53            54            55 
      1   0.268745D+00  0.624268D+01  0.808009D+01 -0.819735D+00 -0.510697D+01
      2  -0.384472D+01 -0.185815D+01 -0.523467D+01 -0.445561D+00 -0.107320D+01
      3   0.682794D+01  0.978180D+00  0.667069D+01 -0.230617D+01  0.571222D+00
                56            57            58            59            60 
      1   0.127055D+02 -0.517555D+01  0.115927D+02  0.604088D+01 -0.278352D+01
      2   0.448170D+00  0.285017D+01  0.899117D+00 -0.136598D+01 -0.177701D+01
      3  -0.153160D+01  0.347465D+01  0.704241D+01 -0.641290D+01 -0.945170D+01
                61            62            63            64            65 
      1  -0.692224D+01  0.562645D+01 -0.236009D+01 -0.663738D+00 -0.267327D+01
      2  -0.542526D+00 -0.258384D+01  0.265834D+01 -0.827551D+00 -0.410749D+01
      3   0.344631D+01 -0.118086D+02  0.870519D+01  0.159286D+02  0.197585D+01
                66            67            68            69            70 
      1  -0.199245D+01 -0.268957D+01 -0.220531D+01  0.480175D+01 -0.585001D+01
      2  -0.177145D+01 -0.575229D+01 -0.505028D+01  0.130520D+02 -0.104709D+02
      3   0.602737D+01  0.114513D+02 -0.862956D+01  0.807220D+01  0.625433D+01
                71            72            73            74            75 
      1   0.921177D+01  0.333364D+01  0.606789D+00  0.739449D+00  0.638163D+00
      2   0.140386D+02  0.581077D+01 -0.209332D+01 -0.144316D+00 -0.127479D+01
      3   0.762224D+01 -0.112991D+02 -0.820017D+00 -0.143052D+00 -0.588863D+00
                76            77            78            79            80 
      1  -0.791593D-01  0.284103D+01  0.185050D+01 -0.148061D+01  0.524849D+01
      2  -0.493300D+00 -0.158694D+01 -0.396491D+01 -0.280129D+01 -0.972625D+00
      3   0.426702D+00  0.190569D+01  0.115791D+01 -0.107351D+01  0.208977D+01
                81            82            83            84            85 
      1   0.993832D+01 -0.177469D+01 -0.226801D+01 -0.153858D+01 -0.145517D+01
      2  -0.141192D+02  0.516044D+01 -0.621170D+00  0.430546D+01  0.276386D+01
      3   0.201339D+01  0.268131D+01 -0.643771D+01  0.781493D+00  0.162365D+01
                86            87            88            89            90 
      1  -0.161085D+01 -0.134744D+01 -0.767841D+00 -0.301145D+00  0.470017D+00
      2   0.118808D+01  0.631747D+00  0.673509D+00 -0.743459D+00 -0.679270D+00
      3  -0.262655D+01 -0.468407D+00  0.143307D-01 -0.209948D+01  0.230304D+00
                91            92            93            94            95 
      1  -0.357394D+01  0.687773D+01  0.225645D+00  0.873925D+01  0.802801D+01
      2   0.352373D+00 -0.666129D+01  0.119347D+02 -0.996918D+01 -0.710510D+01
      3  -0.716559D+01  0.458411D+01  0.102075D+02  0.114262D+02  0.688226D+01
                96            97            98            99           100 
      1  -0.435932D+00  0.150047D+01  0.506385D+01 -0.416775D+01  0.974490D+00
      2  -0.905270D+00  0.839183D+01 -0.514764D+01  0.119131D+02  0.406369D+01
      3   0.102037D+01  0.111051D+02  0.200740D+01  0.303095D+01 -0.312884D+01
               101           102           103           104           105 
      1  -0.420766D+01 -0.451164D+01 -0.722632D+01 -0.220544D+01 -0.574554D+01
      2  -0.870834D+01  0.116721D+02 -0.930650D+01 -0.215650D+01  0.587754D+01
      3   0.637868D+01  0.750909D+01  0.148063D+02  0.366015D+01  0.753907D+01
               106           107           108           109           110 
      1  -0.534969D+01 -0.141458D+01  0.330767D+00 -0.697872D+01  0.332615D+00
      2   0.694466D+01  0.536389D+01 -0.923208D+01 -0.413250D+01 -0.449361D+00
      3   0.112838D+02  0.446897D+01 -0.253914D+01  0.376577D+01 -0.432923D+01
               111           112           113           114           115 
      1  -0.882056D+01 -0.779285D+00 -0.784367D+00 -0.107674D+02 -0.699069D+01
      2  -0.108615D+01  0.139086D+01 -0.245345D+01  0.114462D+02 -0.549218D+01
      3   0.269972D+01  0.934625D+00 -0.386530D+01  0.109691D+00  0.424797D+01
               116           117           118           119           120 
      1  -0.299811D+01  0.664685D+01 -0.157299D+01 -0.860882D+00  0.232757D+01
      2   0.112568D+02 -0.238637D+01  0.335237D+01 -0.923961D+00  0.126402D+01
      3  -0.666560D+00 -0.424938D+01 -0.594606D+01 -0.137999D+01  0.208753D+01
               121           122           123           124           125 
      1   0.573610D+00  0.141033D+01 -0.323839D+01  0.135135D+01  0.345566D+00
      2  -0.117959D+01  0.944835D+00 -0.113546D+01 -0.310371D+01  0.401886D+00
      3   0.335898D+01  0.123604D+00 -0.129323D+01  0.311854D+01  0.779093D-01
               126           127           128           129           130 
      1  -0.386100D+01 -0.797059D+00 -0.371421D+01 -0.173794D+01 -0.226612D+01
      2  -0.102699D+01  0.478367D+00  0.586038D+00  0.152042D+01  0.436765D+00
      3  -0.136661D+01  0.422035D+01  0.224724D+01  0.251969D+00  0.630915D+01
               131           132           133           134           135 
      1  -0.727170D+01 -0.642163D+01 -0.502229D+00 -0.392303D+01 -0.396758D+01
      2   0.116358D+01  0.114696D+01 -0.252125D+00  0.702911D+00 -0.188476D+00
      3   0.315495D+01  0.933647D+00  0.228462D+01  0.189074D+01 -0.128750D+00
               136           137           138           139           140 
      1   0.516486D+01 -0.204371D+01  0.616870D+01 -0.140726D+01  0.194496D+01
      2  -0.379865D+01  0.494882D+00 -0.867743D+00  0.708743D+00 -0.119320D+01
      3  -0.101000D+02  0.139412D+01 -0.488140D+01  0.273116D+01 -0.218354D+01
               141           142           143           144           145 
      1  -0.339651D+01  0.541218D+01 -0.216161D+01  0.989417D+01  0.705588D+00
      2   0.835204D-01 -0.504541D+01  0.114086D+01 -0.168390D+01  0.177445D+01
      3   0.275636D+01 -0.758089D+01  0.350877D+01 -0.583525D+01  0.945755D+00
               146           147           148           149           150 
      1   0.389037D-01 -0.414459D+00 -0.404331D+00  0.185966D+01 -0.558807D+01
      2   0.231877D+00 -0.827051D-01  0.240170D-01  0.760305D+01 -0.819872D+01
      3   0.484063D+00 -0.147013D+01 -0.347374D+00  0.146373D+02 -0.796709D+01
               151           152           153           154           155 
      1   0.852881D+00 -0.170752D+01  0.455848D+01  0.202583D+01  0.141622D+01
      2   0.236202D+00 -0.811113D+01  0.829807D+01  0.240551D+01  0.913030D+00
      3  -0.100153D+01 -0.957508D+01  0.782510D+01 -0.127729D+02 -0.863735D+01
               156           157           158           159           160 
      1   0.927143D+00  0.120685D+01  0.133216D+01 -0.451956D+00  0.177438D+01
      2   0.585412D+01  0.172509D+01  0.119119D+01  0.237521D+01  0.292161D+01
      3  -0.294955D+01 -0.705264D+01 -0.724098D+01 -0.237157D+01 -0.359734D+01
               161           162           163           164           165 
      1   0.932461D+00  0.445992D+00 -0.176159D+01  0.110531D+01  0.207671D+01
      2  -0.593354D+00  0.211860D+01 -0.359320D+01  0.293673D+01  0.440839D+01
      3  -0.318764D+01 -0.107067D+01  0.312981D+00 -0.208248D+01 -0.933460D+00
               166           167           168           169           170 
      1   0.179638D+01 -0.149087D+01 -0.483338D+01  0.347961D+01 -0.186374D+01
      2   0.254765D+01 -0.421239D+01 -0.729758D+01  0.438771D+01 -0.768744D+01
      3  -0.111693D+01  0.615235D+01  0.294028D+01 -0.523050D+00  0.586192D+01
               171           172           173           174           175 
      1  -0.823984D+01  0.268937D+01  0.120148D+01  0.189012D+01 -0.408871D+00
      2  -0.153284D+02 -0.881225D+01  0.104330D+01 -0.737071D+01  0.167619D+01
      3   0.547232D+01 -0.330660D+01  0.367661D+00 -0.366678D+01  0.959605D+00
               176           177           178           179           180 
      1  -0.104872D+01 -0.699009D+00  0.140448D+01  0.240346D+01  0.493564D+01
      2  -0.250998D+01  0.325102D+01 -0.954410D+01  0.370663D+01 -0.166310D+02
      3  -0.241124D+01  0.280874D+01 -0.376669D+01  0.247103D+01 -0.548832D+01
               181           182           183           184           185 
      1  -0.276094D+01 -0.350920D+01 -0.126808D+01 -0.474164D+01 -0.927096D+01
      2   0.291842D+01  0.302847D+01  0.116570D+01  0.361894D+01  0.492397D+01
      3  -0.149456D+01 -0.480587D+01 -0.814779D+00 -0.301858D+01 -0.140373D+02
               186           187           188           189           190 
      1  -0.465599D+01 -0.100498D+01 -0.223613D+01 -0.278268D+01  0.409638D+01
      2   0.465979D+01  0.334931D-01  0.287349D+01  0.202890D+01  0.209612D+01
      3  -0.566216D+00 -0.747322D+00 -0.364470D+01 -0.213863D+01  0.796218D+01
               191           192           193           194           195 
      1  -0.401968D+01 -0.156822D+01 -0.360282D+01  0.286976D+01  0.321500D+00
      2  -0.546011D+00  0.390822D+01  0.460204D+00  0.566504D+00 -0.393662D+01
      3  -0.775782D+01 -0.328659D+01 -0.508360D+01  0.563506D+01  0.177302D+01
               196           197           198           199           200 
      1  -0.232028D+01  0.166561D+01  0.200274D+01 -0.209355D+01 -0.225899D+01
      2  -0.433080D+00 -0.448982D-01 -0.311888D+01  0.699567D+01  0.407644D+01
      3  -0.321223D+01  0.201358D+01  0.207756D+01  0.336012D+01  0.143516D+01
               201           202           203           204           205 
      1   0.661565D+00 -0.122093D+01 -0.278157D+01  0.682116D+00  0.143560D+01
      2  -0.644035D+01  0.442552D+01  0.450016D+01 -0.537677D+01 -0.766633D+01
      3  -0.242843D+01  0.244716D+01  0.368049D+01 -0.379038D+01 -0.318661D+01
               206           207           208           209           210 
      1   0.442238D+01 -0.794509D+00 -0.329954D+01  0.324668D+01  0.191868D+01
      2  -0.610928D+01  0.152382D+02 -0.502927D+01  0.332950D+01  0.426826D+01
      3  -0.375893D+01  0.492008D+01  0.478751D+01 -0.774694D+01 -0.422668D+00
               211           212           213           214           215 
      1   0.373952D+01 -0.336141D+01 -0.177731D+01  0.102341D+01  0.118878D+00
      2   0.365652D+01 -0.168962D+01 -0.443684D+01  0.641982D+00 -0.153455D+01
      3  -0.528182D+01  0.824848D+01 -0.100182D+01 -0.214804D+01  0.194136D+01
               216           217           218           219           220 
      1  -0.134361D+01  0.294742D+01  0.348336D+01  0.121165D+01  0.388097D+01
      2  -0.192999D+01 -0.433197D+00  0.631563D+00  0.183120D+01  0.358062D+00
      3   0.119585D+01 -0.458265D+01 -0.634897D+01 -0.328799D+01 -0.492813D+01
               221           222           223           224           225 
      1   0.760474D+01  0.588957D+00  0.224086D+01  0.333365D+01  0.143961D+01
      2   0.158821D+01  0.469875D+01 -0.210526D+00  0.118901D+01  0.393562D+01
      3  -0.123251D+02 -0.455989D+01 -0.313340D+01 -0.421771D+01 -0.323737D+01
               226           227           228           229           230 
      1  -0.172266D+01 -0.206071D+01  0.205355D+01 -0.441767D+00 -0.676877D+01
      2   0.478976D+01  0.240048D+01 -0.173098D+01  0.472423D+01  0.296759D+01
      3   0.601216D+00 -0.715432D-01 -0.171233D+00  0.242138D+01  0.270713D+01
               231           232           233           234           235 
      1   0.490904D+01  0.129623D+01  0.749618D+01 -0.712709D+01  0.279691D+01
      2  -0.569672D+01 -0.536362D+01 -0.365499D+01  0.639976D+01 -0.473444D+01
      3  -0.236776D+01 -0.949032D+00 -0.103579D+01  0.257106D+01  0.194007D+01
               236           237           238           239           240 
      1   0.403278D+01  0.899672D+00  0.272658D+01  0.530248D+01  0.657318D+00
      2  -0.105754D+01  0.224268D+01 -0.371948D+01 -0.370075D+00  0.829405D-01
      3  -0.250189D+01 -0.556428D-01  0.202236D+01 -0.264926D+01 -0.507939D+00
               241           242           243 
      1   0.123008D+01  0.266571D+01 -0.455219D+00
      2  -0.182471D+01 -0.925616D+00  0.800041D+00
      3   0.292037D+00 -0.113401D+01  0.425066D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.182250D+02  0.899075D+01 -0.140112D+01  0.153974D+02  0.933791D+00
      2  -0.113606D+02 -0.534471D+01 -0.324194D+01 -0.895872D+01  0.551676D+01
      3  -0.686435D+01 -0.364604D+01  0.464307D+01 -0.643870D+01 -0.645056D+01
      4   0.157284D+02  0.474538D+01  0.190568D+01  0.291250D+01 -0.342637D+01
      5  -0.135291D+01  0.438937D+01  0.117491D+02  0.854612D+01  0.932555D+01
      6  -0.819940D+00  0.939146D+00  0.699650D+01  0.475016D+01  0.730780D+01
                 6             7             8             9            10 
      1   0.440123D+01  0.400189D+01  0.704236D+01  0.827191D+01 -0.216856D+02
      2  -0.262981D+00 -0.180197D+01  0.118767D-01 -0.247267D+01  0.312275D+01
      3  -0.413825D+01 -0.219992D+01 -0.705424D+01 -0.579924D+01  0.185629D+02
      4   0.591970D+01  0.591424D+01  0.838941D+01 -0.133331D+02 -0.281822D+02
      5  -0.723107D+01  0.784484D+01 -0.135456D+02 -0.181212D+01  0.953454D+01
      6  -0.180915D+01 -0.445722D+01 -0.302135D+01 -0.134642D+01  0.776727D+01
                11            12            13            14            15 
      1  -0.191057D+02  0.129325D+01 -0.192654D+02 -0.565257D+01  0.792403D+01
      2   0.145916D+02  0.252082D+01  0.115700D+02 -0.175240D+01  0.909202D+00
      3   0.451415D+01 -0.381408D+01  0.769542D+01  0.740497D+01 -0.883323D+01
      4  -0.130510D+02  0.322483D+01 -0.133815D+02  0.293554D+01 -0.462194D+01
      5   0.991698D+01  0.216066D+01  0.649251D+01 -0.680525D+01  0.831946D+01
      6   0.686093D+01 -0.151468D+01  0.635192D+00 -0.665190D+01  0.508341D+01
                16            17            18            19            20 
      1  -0.639595D+01  0.453280D+01  0.600354D+01 -0.236273D+02 -0.791230D+00
      2   0.326900D+01  0.170491D-01  0.149408D+02  0.148801D+02 -0.210018D+01
      3   0.312695D+01 -0.454984D+01 -0.209444D+02  0.874726D+01  0.289141D+01
      4  -0.272038D+01 -0.630827D+01  0.874480D+01 -0.266832D+01 -0.708157D+01
      5   0.148210D+01  0.107397D+02  0.979040D+01  0.182707D+01 -0.194576D+01
      6   0.306626D+01  0.871767D+01 -0.692151D+00  0.124549D+01 -0.151283D+01
                21            22            23            24            25 
      1  -0.779463D+00 -0.297341D+01  0.166512D+02  0.551821D+01 -0.374340D+01
      2   0.986917D+00 -0.143729D+00 -0.257906D+02 -0.458078D+00  0.355743D+01
      3  -0.207453D+00  0.311714D+01  0.913939D+01 -0.506013D+01  0.185968D+00
      4  -0.529379D+00 -0.100336D+02  0.353883D+01  0.146028D+00 -0.859785D+01
      5  -0.998708D+01 -0.119843D+02 -0.371378D+01  0.464078D+01 -0.145012D+01
      6  -0.972066D+00 -0.840030D-01 -0.189042D+02 -0.119055D+02 -0.301099D+00
                26            27            28            29            30 
      1   0.739771D+01  0.215738D+01  0.964109D+00 -0.951204D+00 -0.112702D+01
      2  -0.147884D+02 -0.581927D+01  0.284711D+01  0.175459D+01  0.215647D+00
      3   0.739070D+01  0.366189D+01 -0.381121D+01 -0.803383D+00  0.911370D+00
      4  -0.705386D+00  0.257925D+01  0.177830D+01  0.126329D+02  0.349594D+01
      5   0.173381D+01  0.371766D+00 -0.301496D+00  0.305808D+01  0.743958D+01
      6  -0.270776D+01 -0.112114D+02  0.437683D+01  0.618992D+00  0.154908D+01
                31            32            33            34            35 
      1   0.159206D+01 -0.422813D+02 -0.146900D+02  0.340226D+00 -0.169816D+02
      2  -0.200073D+00  0.636067D+02  0.117206D+02 -0.747761D+00  0.136246D+02
      3  -0.139199D+01 -0.213255D+02  0.296940D+01  0.407534D+00  0.335704D+01
      4   0.165904D+02  0.266163D+00 -0.916966D+00  0.634842D+01 -0.863735D+00
      5   0.605311D+01  0.172646D+01  0.766180D+00  0.841918D+01  0.228980D+01
      6  -0.395720D+00  0.303040D+02  0.238052D+02  0.996553D+00  0.255017D+02
                36            37            38            39            40 
      1  -0.181169D+02  0.161725D+02  0.156661D+01 -0.692565D-01 -0.699764D+01
      2   0.804521D+01 -0.532868D+01 -0.176027D+01  0.228507D+01  0.755972D+01
      3   0.100717D+02 -0.108438D+02  0.193658D+00 -0.221582D+01 -0.562078D+00
      4  -0.382490D+00 -0.593606D+01  0.105096D+02  0.127392D+02  0.701093D+01
      5   0.231741D+01 -0.672354D+01  0.110008D+02 -0.803822D+01  0.173837D+02
      6   0.236715D+02  0.604637D+01 -0.948826D+00 -0.867969D+01  0.143675D+01
                41            42            43            44            45 
      1   0.949814D+01  0.121422D+02 -0.148575D+01  0.137615D+02 -0.142665D+02
      2  -0.455556D+01 -0.118524D+02  0.137487D+00 -0.103400D+02  0.101061D+02
      3  -0.494257D+01 -0.289813D+00  0.134827D+01 -0.342149D+01  0.416045D+01
      4  -0.331205D+01  0.459125D+01  0.174304D+02  0.956490D+00 -0.495642D+01
      5   0.440234D+01 -0.117433D+02 -0.181271D+02 -0.301072D+01 -0.251960D+01
      6   0.113298D+01 -0.183926D+01 -0.524047D+01 -0.232994D+01  0.719838D+01
                46            47            48            49            50 
      1  -0.690781D+00 -0.544016D+01 -0.918134D+01 -0.976088D+01 -0.514652D+01
      2   0.504099D+01  0.207856D+01  0.129911D+02  0.451783D+01  0.476149D+01
      3  -0.435020D+01  0.336160D+01 -0.380974D+01  0.524305D+01  0.385035D+00
      4   0.806798D+01 -0.578778D+01 -0.743439D+01 -0.730065D+01  0.666694D+01
      5   0.361178D+01 -0.235575D+01 -0.840038D+01 -0.348301D+01  0.521380D+01
      6  -0.451898D+01  0.170302D+02  0.634089D+01  0.136877D+02 -0.336360D+01
                51            52            53            54            55 
      1  -0.190262D+01 -0.928489D+01 -0.515760D+01  0.509944D+01 -0.884336D-01
      2   0.385828D+01  0.114067D+02  0.806423D+01 -0.598625D+01  0.588430D+00
      3  -0.195566D+01 -0.212181D+01 -0.290662D+01  0.886806D+00 -0.499997D+00
      4   0.942421D+01 -0.126129D+02  0.100191D+02  0.538743D+01 -0.249262D+00
      5   0.533235D+01 -0.375906D+01  0.642411D+01  0.240266D+01 -0.176523D+01
      6  -0.679165D+01  0.790060D+01 -0.798855D+01 -0.480595D+01  0.399083D+01
                56            57            58            59            60 
      1   0.862283D+01  0.109229D+02  0.122420D+02  0.128885D+02  0.246414D+01
      2  -0.185758D+02 -0.161650D+02 -0.173318D+02 -0.263663D+02 -0.917501D+01
      3   0.995295D+01  0.524204D+01  0.508985D+01  0.134777D+02  0.671088D+01
      4  -0.674219D+01  0.341284D+01 -0.197487D+01 -0.120684D+02 -0.103108D+02
      5  -0.151166D+01 -0.345605D+01 -0.288709D+01 -0.418039D+01  0.234028D+01
      6  -0.169744D+02  0.102935D+02 -0.118966D+02 -0.832009D+01 -0.396598D+00
                61            62            63            64            65 
      1   0.119805D+02  0.621021D+01  0.252582D+01 -0.262456D+02 -0.243172D+02
      2  -0.156781D+02 -0.149633D+02 -0.320255D+01  0.213628D+02  0.136156D+02
      3   0.369752D+01  0.875308D+01  0.676731D+00  0.488278D+01  0.107017D+02
      4   0.579094D+01 -0.130501D+02  0.590048D+01 -0.243797D+02  0.372070D+01
      5  -0.362497D+01  0.178317D+01 -0.393692D+01 -0.792049D+01 -0.113889D+02
      6   0.101561D+02 -0.630840D+01  0.512256D+01 -0.335300D+01  0.434177D+01
                66            67            68            69            70 
      1  -0.957631D+01 -0.320173D+02  0.504858D+01 -0.163765D+02 -0.871388D+01
      2   0.800634D+01  0.179062D+02 -0.594990D+01  0.122955D+02  0.615573D+01
      3   0.156997D+01  0.141112D+02  0.901317D+00  0.408095D+01  0.255816D+01
      4  -0.856551D+01 -0.190732D+01  0.107939D+02 -0.539960D+01 -0.107964D+02
      5  -0.859265D+01 -0.147386D+02 -0.833765D+01  0.224282D+02 -0.144009D+02
      6   0.178373D+01  0.187695D+01  0.770274D+01 -0.157943D+02  0.866231D+01
                71            72            73            74            75 
      1  -0.161441D+02 -0.626870D-01  0.209072D+01  0.236100D+01 -0.343124D+01
      2   0.123452D+02 -0.679802D+01 -0.376832D+01 -0.219119D+01  0.825093D+00
      3   0.379889D+01  0.686071D+01  0.167759D+01 -0.169815D+00  0.260614D+01
      4  -0.458272D+01  0.233174D+02  0.268752D+01  0.173393D+01 -0.944710D+00
      5   0.234756D+02  0.119093D+02 -0.345415D+01 -0.495347D+00  0.478378D+01
      6  -0.172915D+02 -0.327310D+01 -0.120850D+01  0.236715D+00 -0.113561D+01
                76            77            78            79            80 
      1   0.815664D+00 -0.185946D+01 -0.181345D+01 -0.163098D+01  0.485303D+00
      2   0.679001D+00 -0.106032D+01 -0.618024D+01  0.549642D+01 -0.433558D+01
      3  -0.149466D+01  0.291978D+01  0.799369D+01 -0.386544D+01  0.385028D+01
      4   0.265676D+01 -0.195182D+01 -0.202469D+01 -0.178763D+01 -0.249225D+01
      5   0.178179D+01 -0.196027D+01 -0.626948D+01  0.904738D+01 -0.160296D+01
      6  -0.868830D+00  0.169108D+01  0.394870D+01  0.118137D+01  0.474036D+01
                81            82            83            84            85 
      1  -0.166706D+02  0.435035D+02  0.124164D+02 -0.388094D+01  0.953955D+01
      2  -0.236854D+02 -0.176364D+02 -0.172998D+01  0.327739D+01  0.244193D+00
      3   0.403560D+02 -0.258671D+02 -0.106864D+02  0.603548D+00 -0.978375D+01
      4   0.118985D+00  0.360577D+02  0.217260D+02 -0.603276D+01  0.193027D+02
      5  -0.224722D+02 -0.177640D+02 -0.854046D+01  0.943928D+01 -0.582333D+01
      6  -0.931360D+01 -0.891703D+01 -0.670688D+01  0.482776D+01 -0.444233D+01
                86            87            88            89            90 
      1   0.482158D+01 -0.149285D+01  0.451964D+01  0.283117D+00  0.236031D+01
      2   0.388691D+01  0.210305D+00 -0.164906D+00  0.822343D+00 -0.405990D+01
      3  -0.870849D+01  0.128254D+01 -0.435474D+01 -0.110546D+01  0.169960D+01
      4   0.151614D+02 -0.264440D+01  0.198356D+01  0.261062D+01  0.349676D+01
      5  -0.319114D+01  0.252732D+01  0.667460D+01  0.181930D+01 -0.343772D+01
      6  -0.420334D+01  0.309317D+01  0.303677D+01  0.171685D+01 -0.955407D+00
                91            92            93            94            95 
      1  -0.201575D+02  0.899917D+01  0.181924D+02  0.165170D+02 -0.124768D+02
      2   0.134431D+02 -0.162580D+02 -0.704041D+01 -0.260024D+02 -0.459128D+01
      3   0.671445D+01  0.725881D+01 -0.111520D+02  0.948534D+01  0.170681D+02
      4   0.966395D+01 -0.100368D+02 -0.134198D+02 -0.135166D+02 -0.176015D+02
      5   0.168039D+02 -0.191046D+02  0.484866D+01 -0.279146D+02 -0.180067D+01
      6  -0.784503D+01  0.335184D+00  0.137036D+02 -0.116778D+01  0.449630D+00
                96            97            98            99           100 
      1  -0.186751D+02  0.150068D+02 -0.155895D+02  0.193859D+02 -0.171688D+02
      2   0.947283D+01 -0.519374D+01  0.395032D+01 -0.503213D+01  0.112906D+01
      3   0.920225D+01 -0.981309D+01  0.116391D+02 -0.143538D+02  0.160398D+02
      4  -0.917638D+01 -0.182170D+02 -0.112115D+02  0.755343D+01  0.138451D+02
      5   0.142528D+02  0.982177D+01  0.672617D+01 -0.626912D+00 -0.183499D+00
      6   0.380159D+01  0.138008D+02  0.241106D+01  0.149272D+01 -0.501595D+00
               101           102           103           104           105 
      1   0.138934D+02 -0.345797D+01  0.169439D+02 -0.191014D+02 -0.163510D+02
      2   0.194121D+01 -0.541384D+01 -0.546453D+00  0.112519D+02  0.605247D+01
      3  -0.158346D+02  0.887180D+01 -0.163975D+02  0.784956D+01  0.102985D+02
      4  -0.215400D+02 -0.123271D+02 -0.284401D+02 -0.269310D+01 -0.926026D+01
      5  -0.973695D+01  0.138984D+02 -0.128117D+02 -0.144272D+02 -0.416508D+01
      6  -0.702520D+01 -0.621992D+01 -0.107779D+02 -0.445604D+01 -0.627122D+01
               106           107           108           109           110 
      1   0.167651D+01 -0.189799D+02  0.199879D+02 -0.230093D+00  0.258975D+01
      2  -0.762809D+01  0.792353D+01 -0.780818D+01 -0.388374D+01  0.585336D+01
      3   0.595157D+01  0.110564D+02 -0.121797D+02  0.411383D+01 -0.844311D+01
      4  -0.182191D+02 -0.408709D+01 -0.287832D+01 -0.889808D+01 -0.587420D+01
      5   0.175583D+02 -0.609787D+01  0.376732D+01 -0.493074D+01 -0.143780D+02
      6  -0.987269D+01 -0.336400D+01  0.363914D+00 -0.853764D+01 -0.119358D+02
               111           112           113           114           115 
      1   0.484246D+01  0.115403D+01  0.323518D+00 -0.982734D+01  0.585405D+01
      2  -0.569803D+01  0.570395D+01  0.289918D+01 -0.615193D+01 -0.667886D+01
      3   0.855564D+00 -0.685798D+01 -0.322270D+01  0.159793D+02  0.824804D+00
      4  -0.911925D+01 -0.876528D+01 -0.346092D+01 -0.769945D+01 -0.852008D+01
      5  -0.339184D+01 -0.149139D+02 -0.969117D+01 -0.501401D+01 -0.551740D+01
      6  -0.122405D+02 -0.105218D+02 -0.566237D+01 -0.555910D+01 -0.841155D+01
               116           117           118           119           120 
      1  -0.106543D+02 -0.394712D+01  0.375777D+01  0.273599D+01  0.188239D+01
      2  -0.541729D+01  0.589181D+01 -0.161158D+01 -0.522234D+01 -0.129629D+00
      3   0.160716D+02 -0.194469D+01 -0.214619D+01  0.248635D+01 -0.175277D+01
      4  -0.599205D+01  0.362894D+01 -0.161160D+02  0.140742D+02  0.102724D+02
      5  -0.178917D+01 -0.245190D+01 -0.124630D+02  0.825579D+01  0.116649D+02
      6  -0.330826D+01  0.608624D+01  0.109565D+02 -0.104531D+02 -0.101401D+02
               121           122           123           124           125 
      1   0.473563D+01 -0.103224D+02 -0.627804D+01  0.283951D+01 -0.654660D+01
      2  -0.661860D+01  0.143161D+02  0.499476D+01 -0.688187D+00  0.336425D+01
      3   0.188297D+01 -0.399363D+01  0.128328D+01 -0.215132D+01  0.318235D+01
      4   0.117353D+02 -0.145052D+02 -0.869738D+01  0.879924D+01 -0.888800D+01
      5   0.641398D+01 -0.773977D+01 -0.632244D+01  0.101116D+02 -0.755773D+01
      6  -0.100778D+02  0.156534D+02  0.135866D+02 -0.102822D+02  0.145244D+02
               126           127           128           129           130 
      1  -0.877531D+01 -0.224408D+01 -0.785392D+01 -0.132187D+01 -0.578659D+01
      2   0.752236D-01  0.896801D+01  0.192733D+02  0.343480D+01  0.134124D+02
      3   0.870009D+01 -0.672393D+01 -0.114193D+02 -0.211293D+01 -0.762579D+01
      4  -0.984822D+01  0.943043D+01  0.163466D+02  0.151894D+01  0.115478D+02
      5  -0.106006D+02  0.593961D+00  0.850528D+00  0.307419D+01  0.527937D-01
      6   0.164834D+02  0.100463D+01  0.303144D+01  0.174111D+01  0.246090D+01
               131           132           133           134           135 
      1  -0.343073D+02 -0.426847D+01 -0.261316D+01 -0.107095D+02 -0.584036D+01
      2   0.660885D+02  0.853213D+01  0.505451D+01  0.197596D+02  0.830491D+01
      3  -0.317811D+02 -0.426367D+01 -0.244135D+01 -0.905008D+01 -0.246455D+01
      4   0.192772D+02  0.336557D+01  0.331292D+01  0.649607D+01  0.292066D+01
      5   0.273215D+01  0.128741D+01  0.264685D+01  0.251869D+01  0.158432D+01
      6   0.773657D+01  0.848688D+01  0.194284D+01  0.121019D+02  0.605801D+01
               136           137           138           139           140 
      1  -0.357793D+00  0.636496D+01 -0.506914D+01  0.274043D+01 -0.101363D+02
      2   0.151253D+01 -0.870648D+01  0.519924D+01 -0.397059D+01  0.150807D+02
      3  -0.115473D+01  0.234153D+01 -0.130102D+00  0.123016D+01 -0.494434D+01
      4  -0.107216D+02  0.872862D+01 -0.730401D+01  0.624654D+01 -0.511476D+01
      5   0.695944D+01 -0.326843D+01  0.585826D+01 -0.179751D+01  0.389966D+01
      6  -0.890662D+01  0.101675D+02 -0.107628D+02  0.686291D+01 -0.998608D+01
               141           142           143           144           145 
      1   0.569533D+01 -0.510034D+01  0.984715D+01 -0.109412D+02  0.206302D+01
      2  -0.563268D+01  0.343336D+01 -0.874573D+01  0.397406D+01 -0.632027D+00
      3  -0.626490D-01  0.166698D+01 -0.110141D+01  0.696716D+01 -0.143099D+01
      4   0.526178D+01 -0.780144D+01  0.643431D+01 -0.728540D+01 -0.705986D+00
      5  -0.246246D+01  0.723279D+01 -0.335452D+01  0.564572D+01  0.287806D+01
      6   0.102345D+02 -0.101048D+02  0.158859D+02 -0.206516D+02 -0.223199D+01
               146           147           148           149           150 
      1  -0.273767D+01  0.487393D+01 -0.274054D+01 -0.110901D+02  0.825592D+01
      2   0.170191D+01 -0.251934D+01 -0.175034D+01  0.208171D+02 -0.909304D+01
      3   0.103576D+01 -0.235459D+01  0.449088D+01 -0.972702D+01  0.837116D+00
      4   0.321032D+01 -0.173555D+01  0.123438D+02 -0.271695D+02  0.128332D+02
      5  -0.686702D+00  0.209012D+01 -0.368890D+01  0.140856D+02 -0.147733D+02
      6  -0.134137D+01  0.894973D+00  0.312999D+01 -0.166264D+02  0.145374D+02
               151           152           153           154           155 
      1   0.682854D+01  0.830748D+01 -0.742034D+01  0.668444D+02  0.123136D+02
      2  -0.293253D+01 -0.947231D+01  0.380125D+01 -0.391451D+02 -0.853061D+01
      3  -0.389601D+01  0.116484D+01  0.361909D+01 -0.276993D+02 -0.378297D+01
      4  -0.730185D+01  0.162773D+02 -0.138497D+02  0.370257D+01  0.920611D+01
      5   0.856579D+01 -0.155342D+02  0.148931D+02  0.156090D+02  0.330251D+01
      6  -0.433340D+01  0.159705D+02 -0.143964D+02 -0.937768D+00  0.351029D+00
               156           157           158           159           160 
      1   0.107036D+02  0.319331D+02  0.961739D+01  0.574608D+01  0.143215D+02
      2  -0.770568D+01 -0.189553D+02 -0.547800D+01 -0.488628D+01 -0.101662D+02
      3  -0.299794D+01 -0.129779D+02 -0.413939D+01 -0.859799D+00 -0.415531D+01
      4   0.127270D+01  0.989027D+01  0.100017D+02  0.301751D+01  0.147714D+01
      5   0.119709D+02  0.832591D+01  0.428016D+01  0.499195D+01  0.147543D+02
      6  -0.142725D+01  0.472977D+00  0.385410D+00  0.213764D+01 -0.142492D+01
               161           162           163           164           165 
      1   0.379926D+01  0.798095D+01  0.112553D+02 -0.219467D+01 -0.498428D+01
      2  -0.360229D+01 -0.590795D+01 -0.575366D+01 -0.610091D+00  0.152294D+01
      3  -0.196972D+00 -0.207300D+01 -0.550168D+01  0.280476D+01  0.346134D+01
      4   0.357964D+01 -0.957187D+00 -0.606177D+01  0.676419D+01  0.720277D+01
      5   0.392578D+00  0.635859D+01 -0.695061D+01  0.613805D+01  0.980583D+01
      6   0.336535D+01  0.821623D-01  0.417951D+01 -0.275309D+01 -0.354218D+01
               166           167           168           169           170 
      1  -0.253944D+01 -0.571397D-01  0.210620D+01 -0.129243D+02  0.375337D+01
      2  -0.214346D+01  0.645604D+01  0.166041D+01  0.593347D+01  0.142444D+01
      3   0.468289D+01 -0.639890D+01 -0.376661D+01  0.699087D+01 -0.517781D+01
      4   0.124761D+02 -0.161552D+02 -0.919628D+01  0.153181D+02 -0.151377D+02
      5   0.744149D+01 -0.817375D+01 -0.129741D+02  0.171831D+02 -0.153143D+02
      6  -0.435653D+01  0.654210D+01  0.106619D+02 -0.796439D+01  0.116204D+02
               171           172           173           174           175 
      1   0.198667D+01 -0.504580D+01  0.224601D+01 -0.116410D+02  0.627904D+00
      2  -0.343373D+01 -0.434225D+00 -0.275077D+00  0.180557D+00  0.142019D+01
      3   0.144706D+01  0.548003D+01 -0.197093D+01  0.114604D+02 -0.204810D+01
      4  -0.156382D+02 -0.282495D+01 -0.366140D+00  0.832910D+00  0.282579D+01
      5  -0.294298D+02  0.102838D+01  0.304056D+01 -0.271847D+01  0.169237D+01
      6   0.160119D+02 -0.129180D+01  0.408421D+01 -0.656562D+01  0.167165D+01
               176           177           178           179           180 
      1  -0.451710D+01  0.797972D+01 -0.105745D+02  0.778920D+01 -0.246137D+02
      2   0.228911D+01 -0.217477D+01  0.219497D+01 -0.112019D+01 -0.814864D+01
      3   0.222798D+01 -0.580495D+01  0.837956D+01 -0.666901D+01  0.327624D+02
      4   0.348092D+01 -0.199962D+01 -0.152981D+01 -0.285876D+01  0.259869D+01
      5  -0.243006D+01  0.177363D+01  0.383183D+01  0.425957D+01 -0.167549D+02
      6  -0.574391D+01  0.861866D+01 -0.285937D+01  0.907079D+01 -0.155632D+02
               181           182           183           184           185 
      1   0.120672D+02  0.623446D+01 -0.492887D+00  0.864721D+01  0.227502D+01
      2  -0.168055D+01  0.397021D+01  0.113595D+01  0.587875D+01  0.202721D+02
      3  -0.103867D+02 -0.102047D+02 -0.643063D+00 -0.145260D+02 -0.225471D+02
      4   0.128349D+02  0.163765D+02  0.239780D+01  0.232810D+02  0.355221D+02
      5  -0.308106D+01  0.267844D+00  0.304108D+01 -0.161901D+01 -0.197509D+01
      6  -0.111697D+01 -0.306182D+01 -0.928298D-01 -0.468299D+01 -0.935002D+01
               186           187           188           189           190 
      1   0.297140D+01  0.464859D+01  0.375508D+01 -0.993360D+00  0.488318D+02
      2   0.176587D+01  0.217125D+00  0.356093D+01  0.177076D+01 -0.330151D+02
      3  -0.473727D+01 -0.486572D+01 -0.731601D+01 -0.777396D+00 -0.158168D+02
      4   0.121339D+01  0.845403D+01  0.917307D+01  0.338837D+01 -0.569412D+01
      5   0.581119D+01  0.186553D+01  0.302849D+01  0.332962D+01 -0.313640D+02
      6   0.473471D+01  0.346117D-01  0.229960D+01  0.135398D+01  0.313524D+01
               191           192           193           194           195 
      1  -0.106813D+02 -0.140670D+02 -0.233551D+02  0.950328D+01  0.727775D+01
      2   0.907919D+01  0.131859D+02  0.178249D+02 -0.488748D+01 -0.832847D+01
      3   0.160210D+01  0.881099D+00  0.553015D+01 -0.461580D+01  0.105072D+01
      4   0.996656D+01  0.239793D+01  0.114580D+02 -0.815223D+01 -0.310338D+01
      5   0.730730D+01  0.181984D+02  0.185432D+02 -0.726134D+01 -0.131939D+02
      6  -0.450743D+01 -0.134761D+01 -0.460723D+01  0.505756D+01  0.257029D+01
               196           197           198           199           200 
      1  -0.887045D+01  0.293653D+01  0.449339D+01 -0.521468D+01 -0.529178D+01
      2   0.101750D+02 -0.292660D+01 -0.845311D+01  0.189732D+01  0.147973D+01
      3  -0.130454D+01 -0.992902D-02  0.395972D+01  0.331736D+01  0.381205D+01
      4   0.295117D+01 -0.121973D+01 -0.258652D+01 -0.101020D+01  0.127720D+01
      5   0.152611D+02 -0.479641D+01 -0.127151D+02 -0.203061D+01  0.717584D+00
      6  -0.231614D+01  0.246325D+01  0.509594D+00 -0.195876D+01 -0.187956D+01
               201           202           203           204           205 
      1   0.850763D+01 -0.637201D+01 -0.437572D+01  0.785561D+01  0.788860D+01
      2   0.222678D+01  0.292081D+01  0.122766D+01  0.439169D+00 -0.152190D+01
      3  -0.107344D+02  0.345119D+01  0.314805D+01 -0.829478D+01 -0.636669D+01
      4   0.184490D+01  0.412928D+01 -0.340314D+01  0.464749D+01  0.952390D+00
      5  -0.360325D+01 -0.109009D+01  0.431306D+01 -0.537188D+01  0.328310D+01
      6   0.249442D+01 -0.516120D+00 -0.508212D+01  0.783933D+01  0.266551D+01
               206           207           208           209           210 
      1   0.911032D+01 -0.213150D+02  0.440721D+02 -0.170247D+02  0.553142D+00
      2  -0.792694D+00 -0.895267D+01 -0.182041D+02  0.400781D+01 -0.172068D+01
      3  -0.831762D+01  0.302677D+02 -0.258680D+02  0.130169D+02  0.116753D+01
      4   0.458842D+01 -0.505362D+01 -0.255190D+02  0.197898D+02 -0.776653D-01
      5  -0.430423D+01  0.160214D+02  0.104243D+02 -0.345852D+01  0.711082D+01
      6   0.784662D+01 -0.991402D+01 -0.557546D+01  0.528696D+01 -0.124437D+01
               211           212           213           214           215 
      1  -0.236867D+02  0.132616D+02  0.141194D+01 -0.111007D+02  0.527916D+01
      2   0.635368D+01  0.207207D+00  0.142917D+01  0.404223D+01 -0.343582D+00
      3   0.173330D+02 -0.134688D+02 -0.284111D+01  0.705844D+01 -0.493558D+01
      4   0.258179D+02 -0.216089D+02  0.187294D+01  0.686521D+01 -0.457986D+01
      5  -0.577061D+01  0.526104D+01 -0.591176D+01  0.415788D+01 -0.273618D+01
      6   0.638822D+01 -0.485565D+01  0.383391D+01 -0.548765D+00  0.182812D+01
               216           217           218           219           220 
      1   0.198216D+01  0.174378D+02  0.662701D+01  0.603129D+01  0.136559D+02
      2  -0.101434D+01 -0.990416D+01 -0.509946D+01 -0.504061D+01 -0.907032D+01
      3  -0.967811D+00 -0.753367D+01 -0.152755D+01 -0.990687D+00 -0.458557D+01
      4  -0.386802D+01  0.978307D+01  0.130681D+02  0.604617D+01  0.186433D+02
      5  -0.234509D+01  0.126533D+02  0.827760D+01  0.871127D+01  0.157710D+02
      6   0.121754D+00  0.494166D+01  0.555519D+01  0.410941D+01  0.889247D+01
               221           222           223           224           225 
      1   0.780815D+01  0.453092D+01  0.416071D+01  0.274932D+01 -0.136738D+00
      2  -0.283231D+01 -0.648074D+01 -0.524163D+01 -0.396828D+01 -0.535193D+01
      3  -0.497585D+01  0.194983D+01  0.108093D+01  0.121897D+01  0.548866D+01
      4   0.214968D+02  0.978414D+01  0.646733D+01  0.635618D+01  0.679876D+01
      5   0.123323D+02  0.146676D+02  0.969855D+01  0.841195D+01  0.115010D+02
      6   0.126954D+02  0.870691D+01  0.514059D+01  0.678830D+01  0.531671D+01
               226           227           228           229           230 
      1  -0.581234D+00 -0.292509D+00  0.190141D+01 -0.979988D+00 -0.473396D+01
      2  -0.233075D+01 -0.172514D+01  0.230456D+01 -0.148580D+00 -0.339348D+01
      3   0.291199D+01  0.201765D+01 -0.420597D+01  0.112857D+01  0.812743D+01
      4   0.636683D+00  0.216527D+01  0.363388D+00  0.291424D+01 -0.232766D+01
      5  -0.127928D+01 -0.101633D+01  0.510085D+01 -0.233309D+01  0.298032D+01
      6  -0.114303D+01  0.157944D+00  0.729611D+00  0.313975D+00 -0.807644D+01
               231           232           233           234           235 
      1   0.857208D+01  0.827118D+00  0.603526D+01 -0.167742D+02  0.848195D+01
      2   0.798656D+01  0.782710D+00  0.579964D+01 -0.180105D+02 -0.631779D+01
      3  -0.165586D+02 -0.160983D+01 -0.118349D+02  0.347847D+02 -0.216416D+01
      4   0.325622D+01  0.887546D-01  0.175379D+01 -0.216027D+01  0.149614D+02
      5  -0.426032D+01  0.600843D+01 -0.112733D+01  0.632953D+01  0.190442D+02
      6   0.102589D+02  0.176022D+01  0.833147D+01 -0.727062D+01  0.112197D+02
               236           237           238           239           240 
      1   0.100144D+01 -0.192878D-01 -0.207430D+00 -0.537682D+01 -0.359781D+01
      2  -0.135827D+01 -0.522614D+01  0.129908D+00  0.558868D+01  0.190044D+00
      3   0.356826D+00  0.524543D+01  0.775218D-01 -0.211856D+00  0.340776D+01
      4   0.126439D+02  0.919233D+01  0.128595D+02  0.140200D+02  0.912096D+01
      5   0.119949D+02  0.160603D+02  0.123576D+02  0.111351D+02  0.105539D+02
      6   0.101031D+02  0.104207D+02  0.112190D+02  0.152540D+02  0.132456D+02
               241           242           243 
      1  -0.205809D+01 -0.273240D+01 -0.490688D+01
      2  -0.301457D+01 -0.272053D+00 -0.531858D+01
      3   0.507266D+01  0.300445D+01  0.102255D+02
      4   0.595048D+01  0.534271D+01  0.636361D+01
      5   0.107526D+02  0.737934D+01  0.122840D+02
      6   0.798341D+01  0.934186D+01  0.101515D+02
 Leave Link  716 at Fri Jul  9 21:44:56 2021, MaxMem= 17179869184 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129322D+03  0.210864D+00 -0.596672D+00
      2   0.210864D+00  0.118206D+03  0.630548D+00
      3  -0.596672D+00  0.630548D+00  0.108819D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.179437D+01  0.851884D+01 -0.134316D+02
      2  -0.818213D+01 -0.223159D+00 -0.374893D+01
      3   0.168990D+02 -0.468362D+01 -0.238717D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.750856D+00 -0.209487D+02  0.327742D+00
      2   0.850905D+01  0.324255D+02 -0.254729D+02
      3  -0.775820D+01 -0.114768D+02  0.251451D+02
      4   0.921866D+01  0.111282D+02  0.282620D+01
      5   0.144812D+02  0.204448D+01 -0.139171D+02
      6   0.183049D+01 -0.922364D+01  0.167976D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.508260D+01  0.406920D+01  0.754127D+00  0.460025D+01 -0.663877D+00
      2   0.406920D+01 -0.294130D+00  0.123634D+01 -0.663877D+00 -0.431774D+01
      3   0.754127D+00  0.123634D+01  0.262597D+01  0.154907D+01  0.127823D+01
                 6             7             8             9            10 
      1   0.154907D+01  0.247504D+01  0.242787D+01  0.154329D+01 -0.492331D+01
      2   0.127823D+01  0.242787D+01  0.229003D+01 -0.396980D+01 -0.510070D+01
      3  -0.413907D+01  0.154329D+01 -0.396980D+01 -0.163621D+01 -0.678726D-01
                11            12            13            14            15 
      1  -0.510070D+01 -0.678726D-01 -0.415002D+01  0.284115D+00  0.369994D+00
      2  -0.591793D+00  0.521681D+00  0.284115D+00  0.233801D+01 -0.168630D+01
      3   0.521681D+00  0.792273D+00  0.369994D+00 -0.168630D+01  0.298935D+01
                16            17            18            19            20 
      1  -0.221630D+01  0.356965D-01 -0.723436D+00 -0.104760D+01 -0.213846D+01
      2   0.356965D-01 -0.361639D+01  0.281963D+01 -0.213846D+01  0.221027D+01
      3  -0.723436D+00  0.281963D+01  0.447119D+01 -0.117564D+01  0.533419D+00
                21            22            23            24            25 
      1  -0.117564D+01 -0.760886D+01  0.230250D+01  0.490037D+00 -0.392225D+01
      2   0.533419D+00  0.230250D+01  0.419594D+01  0.213833D+01  0.672644D+00
      3  -0.565490D+00  0.490037D+00  0.213833D+01  0.243457D+00 -0.999011D+00
                26            27            28            29            30 
      1   0.672644D+00 -0.999011D+00 -0.175779D+00 -0.218716D+01 -0.102512D+01
      2   0.230463D+01  0.182897D+01 -0.218716D+01 -0.325258D+00 -0.127972D+00
      3   0.182897D+01  0.746954D+00 -0.102512D+01 -0.127972D+00 -0.983677D-01
                31            32            33            34            35 
      1   0.550694D+00 -0.611468D+00 -0.161524D+00  0.335048D-01 -0.353005D+00
      2  -0.611468D+00 -0.116508D+02 -0.368350D+01 -0.353005D+00 -0.352815D+01
      3  -0.161524D+00 -0.368350D+01 -0.199700D+01  0.174330D+00 -0.392869D+01
                36            37            38            39            40 
      1   0.174330D+00 -0.410958D+01  0.111424D+01  0.768907D+00  0.313073D+01
      2  -0.392869D+01  0.111424D+01 -0.272090D+01 -0.296559D+01 -0.424937D+01
      3  -0.373340D+01  0.768907D+00 -0.296559D+01  0.270749D+01 -0.461992D+01
                41            42            43            44            45 
      1  -0.424937D+01 -0.461992D+01  0.152687D+01 -0.418220D+01  0.369550D+01
      2  -0.137947D+01 -0.113015D+01 -0.418220D+01 -0.212504D+01  0.287934D+00
      3  -0.113015D+01  0.115934D+01  0.369550D+01  0.287934D+00 -0.242948D+00
                46            47            48            49            50 
      1   0.167981D+01  0.590870D+00 -0.197466D+01  0.502901D+00  0.365734D+01
      2   0.590870D+00  0.234196D+01  0.441375D+01  0.365734D+01  0.645772D+00
      3  -0.197466D+01  0.441375D+01 -0.640203D+00  0.533817D+01 -0.776506D-01
                51            52            53            54            55 
      1   0.533817D+01 -0.143564D+01  0.509185D+01  0.193433D+00  0.151382D+00
      2  -0.776506D-01  0.509185D+01  0.106136D+01 -0.236696D+01  0.111064D+00
      3  -0.967312D+00  0.193433D+00 -0.236696D+01 -0.287273D+00  0.116164D+01
                56            57            58            59            60 
      1   0.111064D+00  0.116164D+01  0.127896D+01 -0.238596D+01 -0.292196D+01
      2  -0.241954D+01 -0.336482D+01 -0.238596D+01 -0.368873D+01 -0.117793D+01
      3  -0.336482D+01  0.184938D+01 -0.292196D+01 -0.117793D+01  0.449648D+00
                61            62            63            64            65 
      1   0.889982D+00 -0.360655D+01  0.260686D+01 -0.290929D+01 -0.408680D+01
      2  -0.360655D+01 -0.189253D+01 -0.104507D+01 -0.408680D+01  0.375115D+00
      3   0.260686D+01 -0.104507D+01  0.440743D+00 -0.867854D+00 -0.156081D+01
                66            67            68            69            70 
      1  -0.867854D+00 -0.439204D+01 -0.985664D+00 -0.167320D+01 -0.480454D+00
      2  -0.156081D+01 -0.985664D+00  0.278422D+01 -0.184191D+01 -0.194089D+01
      3  -0.135994D+01 -0.167320D+01 -0.184191D+01  0.431643D+01 -0.230557D+01
                71            72            73            74            75 
      1  -0.194089D+01 -0.230557D+01  0.578974D+00  0.295141D+00 -0.864583D+00
      2  -0.198753D+01  0.451493D+01  0.295141D+00 -0.144993D+00 -0.254896D-01
      3   0.451493D+01  0.189768D+01 -0.864583D+00 -0.254896D-01 -0.423828D+00
                76            77            78            79            80 
      1  -0.626756D-01  0.270948D+00  0.390018D+00 -0.131888D+01  0.725685D-01
      2   0.270948D+00 -0.630121D+00 -0.820256D+00  0.725685D-01 -0.985409D+00
      3   0.390018D+00 -0.820256D+00 -0.208141D+01  0.120765D+01 -0.457718D+00
                81            82            83            84            85 
      1   0.120765D+01  0.916357D+01  0.376204D+01 -0.129209D+01  0.281683D+01
      2  -0.457718D+00  0.376204D+01  0.296013D+01 -0.772550D+00  0.197773D+01
      3  -0.824652D+01 -0.129209D+01 -0.772550D+00  0.107898D+01 -0.525450D+00
                86            87            88            89            90 
      1   0.197773D+01 -0.525450D+00  0.834189D+00  0.281906D+00  0.100741D+01
      2   0.205995D+01 -0.255058D+00  0.281906D+00  0.784219D+00  0.305027D+00
      3  -0.255058D+00  0.284803D+00  0.100741D+01  0.305027D+00 -0.597630D+00
                91            92            93            94            95 
      1   0.343505D+01 -0.197118D+01 -0.164447D+01 -0.359351D+01  0.358969D+01
      2  -0.197118D+01  0.198289D+01  0.339809D+01  0.358969D+01  0.331749D+01
      3  -0.164447D+01  0.339809D+01 -0.329146D+01  0.436262D+01  0.995028D+00
                96            97            98            99           100 
      1   0.436262D+01 -0.227580D+00  0.359357D+01 -0.347371D+01  0.304877D+01
      2   0.995028D+00  0.359357D+01  0.231294D+01 -0.342708D-01 -0.188015D+01
      3  -0.128342D+01 -0.347371D+01 -0.342708D-01 -0.165193D+01 -0.373125D+00
               101           102           103           104           105 
      1  -0.188015D+01 -0.373125D+00 -0.180922D+01  0.456151D+01  0.335304D+01
      2   0.312264D+01  0.262863D+01  0.456151D+01  0.109502D+01  0.210435D+01
      3   0.262863D+01 -0.381505D+01  0.335304D+01  0.210435D+01 -0.416306D+00
               106           107           108           109           110 
      1  -0.178540D+01  0.364024D+01 -0.345476D+01 -0.961439D+00 -0.330627D+01
      2   0.364024D+01  0.125220D+01 -0.459514D+00 -0.330627D+01 -0.176239D+01
      3  -0.345476D+01 -0.459514D+00  0.131451D+01 -0.174733D+00 -0.445347D+01
               111           112           113           114           115 
      1  -0.174733D+00 -0.351269D+01 -0.199030D+01 -0.437413D+01  0.727603D+00
      2  -0.445347D+01 -0.199030D+01  0.369697D+00 -0.249664D+01 -0.418997D+01
      3  -0.542725D+00 -0.437413D+01 -0.249664D+01  0.333606D+01 -0.118191D+01
               116           117           118           119           120 
      1  -0.418997D+01 -0.118191D+01 -0.422551D+01  0.217821D+01  0.233734D+01
      2  -0.975571D+00  0.379295D+01  0.217821D+01 -0.262242D+01 -0.177152D+01
      3   0.379295D+01 -0.132078D+01  0.233734D+01 -0.177152D+01 -0.199113D+01
               121           122           123           124           125 
      1   0.173889D+01 -0.244003D+01 -0.173472D+01  0.198660D+01 -0.189728D+01
      2  -0.244003D+01  0.400035D+01  0.202687D+01 -0.189728D+01  0.213118D+01
      3  -0.173472D+01  0.202687D+01  0.200199D+01 -0.216533D+01  0.245389D+01
               126           127           128           129           130 
      1  -0.216533D+01  0.145693D+01  0.188070D+01  0.103702D+00  0.153656D+01
      2   0.245389D+01  0.188070D+01  0.312075D+01  0.625396D+00  0.222759D+01
      3   0.347703D+01  0.103702D+00  0.625396D+00  0.235623D+00  0.390167D+00
               131           132           133           134           135 
      1   0.222759D+01  0.390167D+00  0.603466D+00  0.103206D+01  0.206993D+00
      2   0.960684D+01  0.121187D+01  0.103206D+01  0.309325D+01  0.155374D+01
      3   0.121187D+01  0.998005D+00  0.206993D+00  0.155374D+01  0.852521D+00
               136           137           138           139           140 
      1  -0.283628D+01  0.124622D+01 -0.179003D+01  0.595820D+00 -0.102976D+01
      2   0.124622D+01 -0.191133D+01  0.155877D+01 -0.102976D+01  0.277697D+01
      3  -0.179003D+01  0.155877D+01 -0.203143D+01  0.855378D+00 -0.139005D+01
               141           142           143           144           145 
      1   0.855378D+00 -0.205766D+01  0.130737D+01 -0.194645D+01  0.133346D+00
      2  -0.139005D+01  0.130737D+01 -0.224651D+01  0.228482D+01 -0.312460D+00
      3   0.131881D+01 -0.194645D+01  0.228482D+01 -0.375706D+01  0.618509D+00
               146           147           148           149           150 
      1  -0.312460D+00  0.618509D+00 -0.115436D+01  0.158482D+01 -0.471187D+00
      2  -0.395953D+00  0.234498D+00  0.158482D+01 -0.565320D+01  0.282989D+01
      3   0.234498D+00 -0.160610D+00 -0.471187D+00  0.282989D+01 -0.271956D+01
               151           152           153           154           155 
      1   0.160351D+01 -0.891650D+00  0.106138D+01  0.868822D+01  0.160629D+01
      2  -0.891650D+00  0.345261D+01 -0.301614D+01  0.160629D+01  0.121872D+01
      3   0.106138D+01 -0.301614D+01  0.298209D+01  0.155592D+01  0.377452D+00
               156           157           158           159           160 
      1   0.155592D+01  0.477317D+01  0.153414D+01  0.871371D+00  0.203139D+01
      2   0.377452D+00  0.153414D+01  0.143184D+01  0.540075D+00  0.457934D+00
      3   0.122949D+01  0.871371D+00  0.540075D+00  0.496635D+00  0.173200D+01
               161           162           163           164           165 
      1   0.457934D+00  0.173200D+01  0.179202D+01 -0.584377D+00 -0.115989D+01
      2   0.628824D+00 -0.163653D+00 -0.584377D+00  0.694070D+00  0.839369D+00
      3  -0.163653D+00  0.693040D+00 -0.115989D+01  0.839369D+00  0.111414D+01
               166           167           168           169           170 
      1  -0.112729D+01  0.158971D+01  0.108605D+01 -0.323915D+01  0.199234D+01
      2   0.158971D+01 -0.267200D+01 -0.142671D+01  0.199234D+01 -0.237949D+01
      3   0.108605D+01 -0.142671D+01 -0.216472D+01  0.240891D+01 -0.263394D+01
               171           172           173           174           175 
      1   0.240891D+01  0.147799D+01  0.247209D+00  0.114177D+01  0.133478D+00
      2  -0.263394D+01  0.247209D+00  0.667816D+00 -0.952942D+00 -0.336190D-01
      3  -0.493751D+01  0.114177D+01 -0.952942D+00  0.242497D+01 -0.571296D+00
               176           177           178           179           180 
      1  -0.336190D-01 -0.571296D+00  0.161321D+01 -0.244004D+00  0.104100D+01
      2  -0.119895D+01  0.112080D+01 -0.244004D+00  0.117808D+01 -0.162720D+01
      3   0.112080D+01 -0.117695D+01  0.104100D+01 -0.162720D+01  0.632013D+01
               181           182           183           184           185 
      1  -0.244350D+01 -0.172734D+01 -0.153444D-02 -0.277917D+01 -0.347798D+01
      2  -0.172734D+01 -0.213658D+01 -0.402900D+00 -0.347798D+01 -0.649861D+01
      3  -0.153444D-02 -0.402900D+00 -0.115057D+00 -0.147095D+00 -0.100135D+00
               186           187           188           189           190 
      1  -0.147095D+00 -0.138034D+01 -0.127735D+01 -0.112521D+00 -0.782124D+01
      2  -0.100135D+00 -0.127735D+01 -0.169013D+01 -0.698510D+00  0.165121D+01
      3  -0.116970D+01 -0.112521D+00 -0.698510D+00 -0.530123D+00  0.282608D+01
               191           192           193           194           195 
      1   0.165121D+01  0.282608D+01  0.440353D+01 -0.213676D+01 -0.207851D+01
      2  -0.155666D+01 -0.705956D+00 -0.213676D+01  0.135950D+01  0.711280D+00
      3  -0.705956D+00 -0.179454D+01 -0.207851D+01  0.711280D+00  0.175378D+01
               196           197           198           199           200 
      1   0.162017D+01 -0.763025D+00 -0.146575D+01  0.140980D+01  0.878777D+00
      2  -0.763025D+00  0.179323D+00  0.500677D+00  0.878777D+00  0.513235D+00
      3  -0.146575D+01  0.500677D+00  0.175087D+01 -0.720265D+00 -0.782469D+00
               201           202           203           204           205 
      1  -0.720265D+00  0.114084D+01  0.604055D-01 -0.340800D+00 -0.114589D+01
      2  -0.782469D+00  0.604055D-01  0.124433D+01 -0.141163D+01 -0.653064D+00
      3   0.238247D+01 -0.340800D+00 -0.141163D+01  0.175698D+01  0.761642D+00
               206           207           208           209           210 
      1  -0.653064D+00  0.761642D+00 -0.701136D+01  0.303625D+01 -0.363367D+00
      2  -0.149570D+01  0.175923D+01  0.303625D+01 -0.249461D+01 -0.720757D-01
      3   0.175923D+01 -0.577638D+01 -0.363367D+00 -0.720757D-01 -0.768372D+00
               211           212           213           214           215 
      1   0.430189D+01 -0.335652D+01  0.439354D-01  0.205746D+01 -0.103897D+01
      2  -0.335652D+01  0.303405D+01 -0.393504D+00 -0.103897D+01  0.625272D+00
      3   0.439354D-01 -0.393504D+00  0.935937D+00 -0.522775D+00  0.546601D+00
               216           217           218           219           220 
      1  -0.522775D+00 -0.328228D+01 -0.159860D+01 -0.135264D+01 -0.348240D+01
      2   0.546601D+00 -0.159860D+01 -0.187880D+01 -0.108476D+01 -0.287018D+01
      3   0.322649D+00 -0.135264D+01 -0.108476D+01 -0.841540D+00 -0.214814D+01
               221           222           223           224           225 
      1  -0.287018D+01 -0.214814D+01 -0.109430D+01 -0.115383D+01 -0.107050D+01
      2  -0.387465D+01 -0.182011D+01 -0.115383D+01 -0.121424D+01 -0.120541D+01
      3  -0.182011D+01 -0.229134D+01 -0.107050D+01 -0.120541D+01 -0.196081D+01
               226           227           228           229           230 
      1  -0.980612D+00 -0.391738D+00  0.100981D+01 -0.695506D+00  0.299391D-01
      2  -0.391738D+00 -0.179245D+00  0.672150D+00  0.299391D-01 -0.226003D+01
      3   0.100981D+01  0.672150D+00 -0.560466D+00  0.480425D+00  0.245307D+01
               231           232           233           234           235 
      1   0.480425D+00  0.103072D+01  0.374020D+00 -0.135979D+00  0.462934D+01
      2   0.245307D+01  0.374020D+00  0.153197D+01 -0.228925D+01  0.261783D+01
      3  -0.365007D+01 -0.135979D+00 -0.228925D+01  0.640510D+01  0.257007D+01
               236           237           238           239           240 
      1   0.261783D+01  0.257007D+01  0.286319D+01  0.256105D+01  0.218766D+01
      2   0.222700D+01  0.200379D+01  0.256105D+01  0.356427D+01  0.230174D+01
      3   0.200379D+01  0.255943D+01  0.218766D+01  0.230174D+01  0.201561D+01
               241           242           243 
      1   0.127012D+01  0.121171D+01  0.191731D+01
      2   0.121171D+01  0.131080D+01  0.124772D+01
      3   0.191731D+01  0.124772D+01  0.300407D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.528579D+00  0.296782D+01  0.420971D+00  0.540983D+00  0.232194D+01
      2  -0.290608D+01  0.290427D+00  0.129285D+02  0.227866D+01  0.283181D+01
      3  -0.704541D+01 -0.722383D+01 -0.142666D+00  0.320109D+01  0.640580D+01
                 6             7             8             9            10 
      1  -0.481884D+01  0.208780D+01  0.187336D+01 -0.317553D+00  0.601051D+01
      2  -0.733972D+01  0.194105D-01 -0.106977D+02 -0.449141D+01 -0.167368D+01
      3  -0.251985D+01 -0.450138D+01 -0.791487D+01  0.525741D+01  0.100639D+02
                11            12            13            14            15 
      1  -0.185699D+01 -0.195025D+01 -0.165749D+01  0.161805D+01 -0.126338D+01
      2  -0.380516D+00  0.319939D+01 -0.465577D+01 -0.173918D+01  0.673836D+01
      3  -0.500292D+01 -0.162749D+01 -0.292218D+01 -0.370964D+01  0.350035D+01
                16            17            18            19            20 
      1  -0.883837D+00  0.457456D+01 -0.923230D+01 -0.239414D+00 -0.156347D+01
      2  -0.429335D+01  0.879576D+01  0.116539D+02  0.231214D+01  0.316599D+01
      3  -0.606995D+00  0.922958D+01 -0.518377D+01  0.298811D+01  0.225479D+01
                21            22            23            24            25 
      1  -0.164620D+01  0.114321D+01 -0.745017D+01  0.627736D+01 -0.996525D+00
      2  -0.797305D+01  0.102830D+02 -0.138085D+01  0.324642D+01 -0.217334D+02
      3  -0.238896D+01  0.908516D+01 -0.413229D+01  0.775743D+00 -0.851693D+01
                26            27            28            29            30 
      1   0.101489D+02  0.922524D+01 -0.274748D+00  0.820791D+00 -0.181102D+00
      2   0.395902D+01  0.220036D+01 -0.142550D+01 -0.144022D+01  0.357262D+01
      3   0.516267D+00 -0.107719D+01 -0.257110D+00  0.354976D+00  0.192585D+01
                31            32            33            34            35 
      1  -0.462454D+00  0.416004D+01 -0.101383D+02 -0.612403D-01 -0.473732D+00
      2  -0.946394D+01  0.292142D+00  0.181143D+01  0.112080D+01  0.593298D-02
      3   0.120700D+02  0.296495D+01  0.150441D+01  0.956202D+01  0.973787D+00
                36            37            38            39            40 
      1  -0.715696D+01  0.101833D+01 -0.262196D+01  0.320207D+01 -0.630310D+00
      2   0.610256D+00  0.134237D+01  0.394616D+01  0.724047D+00  0.771575D+01
      3   0.116042D+01 -0.668212D+00 -0.128396D+02 -0.566605D+01 -0.304546D+01
                41            42            43            44            45 
      1  -0.171463D+01 -0.640116D+01  0.190514D+01  0.296947D+01 -0.279463D+00
      2   0.443352D+01 -0.519162D+01 -0.939415D+01  0.498788D+00 -0.210861D+01
      3  -0.979757D+00 -0.514970D+01 -0.804230D+01 -0.230065D+01  0.103563D+01
                46            47            48            49            50 
      1   0.411266D+01 -0.530991D+01  0.618282D+01 -0.616880D+01  0.316898D+00
      2   0.219342D+01 -0.216903D+01  0.535435D+01 -0.515308D+01 -0.138109D+01
      3  -0.294806D+01 -0.173711D+01 -0.498536D+00  0.513781D+01  0.515271D+01
                51            52            53            54            55 
      1   0.268745D+00  0.624268D+01  0.808009D+01 -0.819735D+00 -0.510697D+01
      2  -0.384472D+01 -0.185815D+01 -0.523467D+01 -0.445561D+00 -0.107320D+01
      3   0.682794D+01  0.978180D+00  0.667069D+01 -0.230617D+01  0.571222D+00
                56            57            58            59            60 
      1   0.127055D+02 -0.517555D+01  0.115927D+02  0.604088D+01 -0.278352D+01
      2   0.448170D+00  0.285017D+01  0.899117D+00 -0.136598D+01 -0.177701D+01
      3  -0.153160D+01  0.347465D+01  0.704241D+01 -0.641290D+01 -0.945170D+01
                61            62            63            64            65 
      1  -0.692224D+01  0.562645D+01 -0.236009D+01 -0.663738D+00 -0.267327D+01
      2  -0.542526D+00 -0.258384D+01  0.265834D+01 -0.827551D+00 -0.410749D+01
      3   0.344631D+01 -0.118086D+02  0.870519D+01  0.159286D+02  0.197585D+01
                66            67            68            69            70 
      1  -0.199245D+01 -0.268957D+01 -0.220531D+01  0.480175D+01 -0.585001D+01
      2  -0.177145D+01 -0.575229D+01 -0.505028D+01  0.130520D+02 -0.104709D+02
      3   0.602737D+01  0.114513D+02 -0.862956D+01  0.807220D+01  0.625433D+01
                71            72            73            74            75 
      1   0.921177D+01  0.333364D+01  0.606789D+00  0.739449D+00  0.638163D+00
      2   0.140386D+02  0.581077D+01 -0.209332D+01 -0.144316D+00 -0.127479D+01
      3   0.762224D+01 -0.112991D+02 -0.820017D+00 -0.143052D+00 -0.588863D+00
                76            77            78            79            80 
      1  -0.791593D-01  0.284103D+01  0.185050D+01 -0.148061D+01  0.524849D+01
      2  -0.493300D+00 -0.158694D+01 -0.396491D+01 -0.280129D+01 -0.972625D+00
      3   0.426702D+00  0.190569D+01  0.115791D+01 -0.107351D+01  0.208977D+01
                81            82            83            84            85 
      1   0.993832D+01 -0.177469D+01 -0.226801D+01 -0.153858D+01 -0.145517D+01
      2  -0.141192D+02  0.516044D+01 -0.621170D+00  0.430546D+01  0.276386D+01
      3   0.201339D+01  0.268131D+01 -0.643771D+01  0.781493D+00  0.162365D+01
                86            87            88            89            90 
      1  -0.161085D+01 -0.134744D+01 -0.767841D+00 -0.301145D+00  0.470017D+00
      2   0.118808D+01  0.631747D+00  0.673509D+00 -0.743459D+00 -0.679270D+00
      3  -0.262655D+01 -0.468407D+00  0.143307D-01 -0.209948D+01  0.230304D+00
                91            92            93            94            95 
      1  -0.357394D+01  0.687773D+01  0.225645D+00  0.873925D+01  0.802801D+01
      2   0.352373D+00 -0.666129D+01  0.119347D+02 -0.996918D+01 -0.710510D+01
      3  -0.716559D+01  0.458411D+01  0.102075D+02  0.114262D+02  0.688226D+01
                96            97            98            99           100 
      1  -0.435932D+00  0.150047D+01  0.506385D+01 -0.416775D+01  0.974490D+00
      2  -0.905270D+00  0.839183D+01 -0.514764D+01  0.119131D+02  0.406369D+01
      3   0.102037D+01  0.111051D+02  0.200740D+01  0.303095D+01 -0.312884D+01
               101           102           103           104           105 
      1  -0.420766D+01 -0.451164D+01 -0.722632D+01 -0.220544D+01 -0.574554D+01
      2  -0.870834D+01  0.116721D+02 -0.930650D+01 -0.215650D+01  0.587754D+01
      3   0.637868D+01  0.750909D+01  0.148063D+02  0.366015D+01  0.753907D+01
               106           107           108           109           110 
      1  -0.534969D+01 -0.141458D+01  0.330767D+00 -0.697872D+01  0.332615D+00
      2   0.694466D+01  0.536389D+01 -0.923208D+01 -0.413250D+01 -0.449361D+00
      3   0.112838D+02  0.446897D+01 -0.253914D+01  0.376577D+01 -0.432923D+01
               111           112           113           114           115 
      1  -0.882056D+01 -0.779285D+00 -0.784367D+00 -0.107674D+02 -0.699069D+01
      2  -0.108615D+01  0.139086D+01 -0.245345D+01  0.114462D+02 -0.549218D+01
      3   0.269972D+01  0.934625D+00 -0.386530D+01  0.109691D+00  0.424797D+01
               116           117           118           119           120 
      1  -0.299811D+01  0.664685D+01 -0.157299D+01 -0.860882D+00  0.232757D+01
      2   0.112568D+02 -0.238637D+01  0.335237D+01 -0.923961D+00  0.126402D+01
      3  -0.666560D+00 -0.424938D+01 -0.594606D+01 -0.137999D+01  0.208753D+01
               121           122           123           124           125 
      1   0.573610D+00  0.141033D+01 -0.323839D+01  0.135135D+01  0.345566D+00
      2  -0.117959D+01  0.944835D+00 -0.113546D+01 -0.310371D+01  0.401886D+00
      3   0.335898D+01  0.123604D+00 -0.129323D+01  0.311854D+01  0.779093D-01
               126           127           128           129           130 
      1  -0.386100D+01 -0.797059D+00 -0.371421D+01 -0.173794D+01 -0.226612D+01
      2  -0.102699D+01  0.478367D+00  0.586038D+00  0.152042D+01  0.436765D+00
      3  -0.136661D+01  0.422035D+01  0.224724D+01  0.251969D+00  0.630915D+01
               131           132           133           134           135 
      1  -0.727170D+01 -0.642163D+01 -0.502229D+00 -0.392303D+01 -0.396758D+01
      2   0.116358D+01  0.114696D+01 -0.252125D+00  0.702911D+00 -0.188476D+00
      3   0.315495D+01  0.933647D+00  0.228462D+01  0.189074D+01 -0.128750D+00
               136           137           138           139           140 
      1   0.516486D+01 -0.204371D+01  0.616870D+01 -0.140726D+01  0.194496D+01
      2  -0.379865D+01  0.494882D+00 -0.867743D+00  0.708743D+00 -0.119320D+01
      3  -0.101000D+02  0.139412D+01 -0.488140D+01  0.273116D+01 -0.218354D+01
               141           142           143           144           145 
      1  -0.339651D+01  0.541218D+01 -0.216161D+01  0.989417D+01  0.705588D+00
      2   0.835204D-01 -0.504541D+01  0.114086D+01 -0.168390D+01  0.177445D+01
      3   0.275636D+01 -0.758089D+01  0.350877D+01 -0.583525D+01  0.945755D+00
               146           147           148           149           150 
      1   0.389037D-01 -0.414459D+00 -0.404331D+00  0.185966D+01 -0.558807D+01
      2   0.231877D+00 -0.827051D-01  0.240170D-01  0.760305D+01 -0.819872D+01
      3   0.484063D+00 -0.147013D+01 -0.347374D+00  0.146373D+02 -0.796709D+01
               151           152           153           154           155 
      1   0.852881D+00 -0.170752D+01  0.455848D+01  0.202583D+01  0.141622D+01
      2   0.236202D+00 -0.811113D+01  0.829807D+01  0.240551D+01  0.913030D+00
      3  -0.100153D+01 -0.957508D+01  0.782510D+01 -0.127729D+02 -0.863735D+01
               156           157           158           159           160 
      1   0.927143D+00  0.120685D+01  0.133216D+01 -0.451956D+00  0.177438D+01
      2   0.585412D+01  0.172509D+01  0.119119D+01  0.237521D+01  0.292161D+01
      3  -0.294955D+01 -0.705264D+01 -0.724098D+01 -0.237157D+01 -0.359734D+01
               161           162           163           164           165 
      1   0.932461D+00  0.445992D+00 -0.176159D+01  0.110531D+01  0.207671D+01
      2  -0.593354D+00  0.211860D+01 -0.359320D+01  0.293673D+01  0.440839D+01
      3  -0.318764D+01 -0.107067D+01  0.312981D+00 -0.208248D+01 -0.933460D+00
               166           167           168           169           170 
      1   0.179638D+01 -0.149087D+01 -0.483338D+01  0.347961D+01 -0.186374D+01
      2   0.254765D+01 -0.421239D+01 -0.729758D+01  0.438771D+01 -0.768744D+01
      3  -0.111693D+01  0.615235D+01  0.294028D+01 -0.523050D+00  0.586192D+01
               171           172           173           174           175 
      1  -0.823984D+01  0.268937D+01  0.120148D+01  0.189012D+01 -0.408871D+00
      2  -0.153284D+02 -0.881225D+01  0.104330D+01 -0.737071D+01  0.167619D+01
      3   0.547232D+01 -0.330660D+01  0.367661D+00 -0.366678D+01  0.959605D+00
               176           177           178           179           180 
      1  -0.104872D+01 -0.699009D+00  0.140448D+01  0.240346D+01  0.493564D+01
      2  -0.250998D+01  0.325102D+01 -0.954410D+01  0.370663D+01 -0.166310D+02
      3  -0.241124D+01  0.280874D+01 -0.376669D+01  0.247103D+01 -0.548832D+01
               181           182           183           184           185 
      1  -0.276094D+01 -0.350920D+01 -0.126808D+01 -0.474164D+01 -0.927096D+01
      2   0.291842D+01  0.302847D+01  0.116570D+01  0.361894D+01  0.492397D+01
      3  -0.149456D+01 -0.480587D+01 -0.814779D+00 -0.301858D+01 -0.140373D+02
               186           187           188           189           190 
      1  -0.465599D+01 -0.100498D+01 -0.223613D+01 -0.278268D+01  0.409638D+01
      2   0.465979D+01  0.334931D-01  0.287349D+01  0.202890D+01  0.209612D+01
      3  -0.566216D+00 -0.747322D+00 -0.364470D+01 -0.213863D+01  0.796218D+01
               191           192           193           194           195 
      1  -0.401968D+01 -0.156822D+01 -0.360282D+01  0.286976D+01  0.321500D+00
      2  -0.546011D+00  0.390822D+01  0.460204D+00  0.566504D+00 -0.393662D+01
      3  -0.775782D+01 -0.328659D+01 -0.508360D+01  0.563506D+01  0.177302D+01
               196           197           198           199           200 
      1  -0.232028D+01  0.166561D+01  0.200274D+01 -0.209355D+01 -0.225899D+01
      2  -0.433080D+00 -0.448982D-01 -0.311888D+01  0.699567D+01  0.407644D+01
      3  -0.321223D+01  0.201358D+01  0.207756D+01  0.336012D+01  0.143516D+01
               201           202           203           204           205 
      1   0.661565D+00 -0.122093D+01 -0.278157D+01  0.682116D+00  0.143560D+01
      2  -0.644035D+01  0.442552D+01  0.450016D+01 -0.537677D+01 -0.766633D+01
      3  -0.242843D+01  0.244716D+01  0.368049D+01 -0.379038D+01 -0.318661D+01
               206           207           208           209           210 
      1   0.442238D+01 -0.794509D+00 -0.329954D+01  0.324668D+01  0.191868D+01
      2  -0.610928D+01  0.152382D+02 -0.502927D+01  0.332950D+01  0.426826D+01
      3  -0.375893D+01  0.492008D+01  0.478751D+01 -0.774694D+01 -0.422668D+00
               211           212           213           214           215 
      1   0.373952D+01 -0.336141D+01 -0.177731D+01  0.102341D+01  0.118878D+00
      2   0.365652D+01 -0.168962D+01 -0.443684D+01  0.641982D+00 -0.153455D+01
      3  -0.528182D+01  0.824848D+01 -0.100182D+01 -0.214804D+01  0.194136D+01
               216           217           218           219           220 
      1  -0.134361D+01  0.294742D+01  0.348336D+01  0.121165D+01  0.388097D+01
      2  -0.192999D+01 -0.433197D+00  0.631563D+00  0.183120D+01  0.358062D+00
      3   0.119585D+01 -0.458265D+01 -0.634897D+01 -0.328799D+01 -0.492813D+01
               221           222           223           224           225 
      1   0.760474D+01  0.588957D+00  0.224086D+01  0.333365D+01  0.143961D+01
      2   0.158821D+01  0.469875D+01 -0.210526D+00  0.118901D+01  0.393562D+01
      3  -0.123251D+02 -0.455989D+01 -0.313340D+01 -0.421771D+01 -0.323737D+01
               226           227           228           229           230 
      1  -0.172266D+01 -0.206071D+01  0.205355D+01 -0.441767D+00 -0.676877D+01
      2   0.478976D+01  0.240048D+01 -0.173098D+01  0.472423D+01  0.296759D+01
      3   0.601216D+00 -0.715432D-01 -0.171233D+00  0.242138D+01  0.270713D+01
               231           232           233           234           235 
      1   0.490904D+01  0.129623D+01  0.749618D+01 -0.712709D+01  0.279691D+01
      2  -0.569672D+01 -0.536362D+01 -0.365499D+01  0.639976D+01 -0.473444D+01
      3  -0.236776D+01 -0.949032D+00 -0.103579D+01  0.257106D+01  0.194007D+01
               236           237           238           239           240 
      1   0.403278D+01  0.899672D+00  0.272658D+01  0.530248D+01  0.657318D+00
      2  -0.105754D+01  0.224268D+01 -0.371948D+01 -0.370075D+00  0.829405D-01
      3  -0.250189D+01 -0.556428D-01  0.202236D+01 -0.264926D+01 -0.507939D+00
               241           242           243 
      1   0.123008D+01  0.266571D+01 -0.455219D+00
      2  -0.182471D+01 -0.925616D+00  0.800041D+00
      3   0.292037D+00 -0.113401D+01  0.425066D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.182250D+02  0.899075D+01 -0.140112D+01  0.153974D+02  0.933791D+00
      2  -0.113606D+02 -0.534471D+01 -0.324194D+01 -0.895872D+01  0.551676D+01
      3  -0.686435D+01 -0.364604D+01  0.464307D+01 -0.643870D+01 -0.645056D+01
      4   0.157284D+02  0.474538D+01  0.190568D+01  0.291250D+01 -0.342637D+01
      5  -0.135291D+01  0.438937D+01  0.117491D+02  0.854612D+01  0.932555D+01
      6  -0.819940D+00  0.939146D+00  0.699650D+01  0.475016D+01  0.730780D+01
                 6             7             8             9            10 
      1   0.440123D+01  0.400189D+01  0.704236D+01  0.827191D+01 -0.216856D+02
      2  -0.262981D+00 -0.180197D+01  0.118767D-01 -0.247267D+01  0.312275D+01
      3  -0.413825D+01 -0.219992D+01 -0.705424D+01 -0.579924D+01  0.185629D+02
      4   0.591970D+01  0.591424D+01  0.838941D+01 -0.133331D+02 -0.281822D+02
      5  -0.723107D+01  0.784484D+01 -0.135456D+02 -0.181212D+01  0.953454D+01
      6  -0.180915D+01 -0.445722D+01 -0.302135D+01 -0.134642D+01  0.776727D+01
                11            12            13            14            15 
      1  -0.191057D+02  0.129325D+01 -0.192654D+02 -0.565257D+01  0.792403D+01
      2   0.145916D+02  0.252082D+01  0.115700D+02 -0.175240D+01  0.909202D+00
      3   0.451415D+01 -0.381408D+01  0.769542D+01  0.740497D+01 -0.883323D+01
      4  -0.130510D+02  0.322483D+01 -0.133815D+02  0.293554D+01 -0.462194D+01
      5   0.991698D+01  0.216066D+01  0.649251D+01 -0.680525D+01  0.831946D+01
      6   0.686093D+01 -0.151468D+01  0.635192D+00 -0.665190D+01  0.508341D+01
                16            17            18            19            20 
      1  -0.639595D+01  0.453280D+01  0.600354D+01 -0.236273D+02 -0.791230D+00
      2   0.326900D+01  0.170491D-01  0.149408D+02  0.148801D+02 -0.210018D+01
      3   0.312695D+01 -0.454984D+01 -0.209444D+02  0.874726D+01  0.289141D+01
      4  -0.272038D+01 -0.630827D+01  0.874480D+01 -0.266832D+01 -0.708157D+01
      5   0.148210D+01  0.107397D+02  0.979040D+01  0.182707D+01 -0.194576D+01
      6   0.306626D+01  0.871767D+01 -0.692151D+00  0.124549D+01 -0.151283D+01
                21            22            23            24            25 
      1  -0.779463D+00 -0.297341D+01  0.166512D+02  0.551821D+01 -0.374340D+01
      2   0.986917D+00 -0.143729D+00 -0.257906D+02 -0.458078D+00  0.355743D+01
      3  -0.207453D+00  0.311714D+01  0.913939D+01 -0.506013D+01  0.185968D+00
      4  -0.529379D+00 -0.100336D+02  0.353883D+01  0.146028D+00 -0.859785D+01
      5  -0.998708D+01 -0.119843D+02 -0.371378D+01  0.464078D+01 -0.145012D+01
      6  -0.972066D+00 -0.840030D-01 -0.189042D+02 -0.119055D+02 -0.301099D+00
                26            27            28            29            30 
      1   0.739771D+01  0.215738D+01  0.964109D+00 -0.951204D+00 -0.112702D+01
      2  -0.147884D+02 -0.581927D+01  0.284711D+01  0.175459D+01  0.215647D+00
      3   0.739070D+01  0.366189D+01 -0.381121D+01 -0.803383D+00  0.911370D+00
      4  -0.705386D+00  0.257925D+01  0.177830D+01  0.126329D+02  0.349594D+01
      5   0.173381D+01  0.371766D+00 -0.301496D+00  0.305808D+01  0.743958D+01
      6  -0.270776D+01 -0.112114D+02  0.437683D+01  0.618992D+00  0.154908D+01
                31            32            33            34            35 
      1   0.159206D+01 -0.422813D+02 -0.146900D+02  0.340226D+00 -0.169816D+02
      2  -0.200073D+00  0.636067D+02  0.117206D+02 -0.747761D+00  0.136246D+02
      3  -0.139199D+01 -0.213255D+02  0.296940D+01  0.407534D+00  0.335704D+01
      4   0.165904D+02  0.266163D+00 -0.916966D+00  0.634842D+01 -0.863735D+00
      5   0.605311D+01  0.172646D+01  0.766180D+00  0.841918D+01  0.228980D+01
      6  -0.395720D+00  0.303040D+02  0.238052D+02  0.996553D+00  0.255017D+02
                36            37            38            39            40 
      1  -0.181169D+02  0.161725D+02  0.156661D+01 -0.692565D-01 -0.699764D+01
      2   0.804521D+01 -0.532868D+01 -0.176027D+01  0.228507D+01  0.755972D+01
      3   0.100717D+02 -0.108438D+02  0.193658D+00 -0.221582D+01 -0.562078D+00
      4  -0.382490D+00 -0.593606D+01  0.105096D+02  0.127392D+02  0.701093D+01
      5   0.231741D+01 -0.672354D+01  0.110008D+02 -0.803822D+01  0.173837D+02
      6   0.236715D+02  0.604637D+01 -0.948826D+00 -0.867969D+01  0.143675D+01
                41            42            43            44            45 
      1   0.949814D+01  0.121422D+02 -0.148575D+01  0.137615D+02 -0.142665D+02
      2  -0.455556D+01 -0.118524D+02  0.137487D+00 -0.103400D+02  0.101061D+02
      3  -0.494257D+01 -0.289813D+00  0.134827D+01 -0.342149D+01  0.416045D+01
      4  -0.331205D+01  0.459125D+01  0.174304D+02  0.956490D+00 -0.495642D+01
      5   0.440234D+01 -0.117433D+02 -0.181271D+02 -0.301072D+01 -0.251960D+01
      6   0.113298D+01 -0.183926D+01 -0.524047D+01 -0.232994D+01  0.719838D+01
                46            47            48            49            50 
      1  -0.690781D+00 -0.544016D+01 -0.918134D+01 -0.976088D+01 -0.514652D+01
      2   0.504099D+01  0.207856D+01  0.129911D+02  0.451783D+01  0.476149D+01
      3  -0.435020D+01  0.336160D+01 -0.380974D+01  0.524305D+01  0.385035D+00
      4   0.806798D+01 -0.578778D+01 -0.743439D+01 -0.730065D+01  0.666694D+01
      5   0.361178D+01 -0.235575D+01 -0.840038D+01 -0.348301D+01  0.521380D+01
      6  -0.451898D+01  0.170302D+02  0.634089D+01  0.136877D+02 -0.336360D+01
                51            52            53            54            55 
      1  -0.190262D+01 -0.928489D+01 -0.515760D+01  0.509944D+01 -0.884336D-01
      2   0.385828D+01  0.114067D+02  0.806423D+01 -0.598625D+01  0.588430D+00
      3  -0.195566D+01 -0.212181D+01 -0.290662D+01  0.886806D+00 -0.499997D+00
      4   0.942421D+01 -0.126129D+02  0.100191D+02  0.538743D+01 -0.249262D+00
      5   0.533235D+01 -0.375906D+01  0.642411D+01  0.240266D+01 -0.176523D+01
      6  -0.679165D+01  0.790060D+01 -0.798855D+01 -0.480595D+01  0.399083D+01
                56            57            58            59            60 
      1   0.862283D+01  0.109229D+02  0.122420D+02  0.128885D+02  0.246414D+01
      2  -0.185758D+02 -0.161650D+02 -0.173318D+02 -0.263663D+02 -0.917501D+01
      3   0.995295D+01  0.524204D+01  0.508985D+01  0.134777D+02  0.671088D+01
      4  -0.674219D+01  0.341284D+01 -0.197487D+01 -0.120684D+02 -0.103108D+02
      5  -0.151166D+01 -0.345605D+01 -0.288709D+01 -0.418039D+01  0.234028D+01
      6  -0.169744D+02  0.102935D+02 -0.118966D+02 -0.832009D+01 -0.396598D+00
                61            62            63            64            65 
      1   0.119805D+02  0.621021D+01  0.252582D+01 -0.262456D+02 -0.243172D+02
      2  -0.156781D+02 -0.149633D+02 -0.320255D+01  0.213628D+02  0.136156D+02
      3   0.369752D+01  0.875308D+01  0.676731D+00  0.488278D+01  0.107017D+02
      4   0.579094D+01 -0.130501D+02  0.590048D+01 -0.243797D+02  0.372070D+01
      5  -0.362497D+01  0.178317D+01 -0.393692D+01 -0.792049D+01 -0.113889D+02
      6   0.101561D+02 -0.630840D+01  0.512256D+01 -0.335300D+01  0.434177D+01
                66            67            68            69            70 
      1  -0.957631D+01 -0.320173D+02  0.504858D+01 -0.163765D+02 -0.871388D+01
      2   0.800634D+01  0.179062D+02 -0.594990D+01  0.122955D+02  0.615573D+01
      3   0.156997D+01  0.141112D+02  0.901317D+00  0.408095D+01  0.255816D+01
      4  -0.856551D+01 -0.190732D+01  0.107939D+02 -0.539960D+01 -0.107964D+02
      5  -0.859265D+01 -0.147386D+02 -0.833765D+01  0.224282D+02 -0.144009D+02
      6   0.178373D+01  0.187695D+01  0.770274D+01 -0.157943D+02  0.866231D+01
                71            72            73            74            75 
      1  -0.161441D+02 -0.626870D-01  0.209072D+01  0.236100D+01 -0.343124D+01
      2   0.123452D+02 -0.679802D+01 -0.376832D+01 -0.219119D+01  0.825093D+00
      3   0.379889D+01  0.686071D+01  0.167759D+01 -0.169815D+00  0.260614D+01
      4  -0.458272D+01  0.233174D+02  0.268752D+01  0.173393D+01 -0.944710D+00
      5   0.234756D+02  0.119093D+02 -0.345415D+01 -0.495347D+00  0.478378D+01
      6  -0.172915D+02 -0.327310D+01 -0.120850D+01  0.236715D+00 -0.113561D+01
                76            77            78            79            80 
      1   0.815664D+00 -0.185946D+01 -0.181345D+01 -0.163098D+01  0.485303D+00
      2   0.679001D+00 -0.106032D+01 -0.618024D+01  0.549642D+01 -0.433558D+01
      3  -0.149466D+01  0.291978D+01  0.799369D+01 -0.386544D+01  0.385028D+01
      4   0.265676D+01 -0.195182D+01 -0.202469D+01 -0.178763D+01 -0.249225D+01
      5   0.178179D+01 -0.196027D+01 -0.626948D+01  0.904738D+01 -0.160296D+01
      6  -0.868830D+00  0.169108D+01  0.394870D+01  0.118137D+01  0.474036D+01
                81            82            83            84            85 
      1  -0.166706D+02  0.435035D+02  0.124164D+02 -0.388094D+01  0.953955D+01
      2  -0.236854D+02 -0.176364D+02 -0.172998D+01  0.327739D+01  0.244193D+00
      3   0.403560D+02 -0.258671D+02 -0.106864D+02  0.603548D+00 -0.978375D+01
      4   0.118985D+00  0.360577D+02  0.217260D+02 -0.603276D+01  0.193027D+02
      5  -0.224722D+02 -0.177640D+02 -0.854046D+01  0.943928D+01 -0.582333D+01
      6  -0.931360D+01 -0.891703D+01 -0.670688D+01  0.482776D+01 -0.444233D+01
                86            87            88            89            90 
      1   0.482158D+01 -0.149285D+01  0.451964D+01  0.283117D+00  0.236031D+01
      2   0.388691D+01  0.210305D+00 -0.164906D+00  0.822343D+00 -0.405990D+01
      3  -0.870849D+01  0.128254D+01 -0.435474D+01 -0.110546D+01  0.169960D+01
      4   0.151614D+02 -0.264440D+01  0.198356D+01  0.261062D+01  0.349676D+01
      5  -0.319114D+01  0.252732D+01  0.667460D+01  0.181930D+01 -0.343772D+01
      6  -0.420334D+01  0.309317D+01  0.303677D+01  0.171685D+01 -0.955407D+00
                91            92            93            94            95 
      1  -0.201575D+02  0.899917D+01  0.181924D+02  0.165170D+02 -0.124768D+02
      2   0.134431D+02 -0.162580D+02 -0.704041D+01 -0.260024D+02 -0.459128D+01
      3   0.671445D+01  0.725881D+01 -0.111520D+02  0.948534D+01  0.170681D+02
      4   0.966395D+01 -0.100368D+02 -0.134198D+02 -0.135166D+02 -0.176015D+02
      5   0.168039D+02 -0.191046D+02  0.484866D+01 -0.279146D+02 -0.180067D+01
      6  -0.784503D+01  0.335184D+00  0.137036D+02 -0.116778D+01  0.449630D+00
                96            97            98            99           100 
      1  -0.186751D+02  0.150068D+02 -0.155895D+02  0.193859D+02 -0.171688D+02
      2   0.947283D+01 -0.519374D+01  0.395032D+01 -0.503213D+01  0.112906D+01
      3   0.920225D+01 -0.981309D+01  0.116391D+02 -0.143538D+02  0.160398D+02
      4  -0.917638D+01 -0.182170D+02 -0.112115D+02  0.755343D+01  0.138451D+02
      5   0.142528D+02  0.982177D+01  0.672617D+01 -0.626912D+00 -0.183499D+00
      6   0.380159D+01  0.138008D+02  0.241106D+01  0.149272D+01 -0.501595D+00
               101           102           103           104           105 
      1   0.138934D+02 -0.345797D+01  0.169439D+02 -0.191014D+02 -0.163510D+02
      2   0.194121D+01 -0.541384D+01 -0.546453D+00  0.112519D+02  0.605247D+01
      3  -0.158346D+02  0.887180D+01 -0.163975D+02  0.784956D+01  0.102985D+02
      4  -0.215400D+02 -0.123271D+02 -0.284401D+02 -0.269310D+01 -0.926026D+01
      5  -0.973695D+01  0.138984D+02 -0.128117D+02 -0.144272D+02 -0.416508D+01
      6  -0.702520D+01 -0.621992D+01 -0.107779D+02 -0.445604D+01 -0.627122D+01
               106           107           108           109           110 
      1   0.167651D+01 -0.189799D+02  0.199879D+02 -0.230093D+00  0.258975D+01
      2  -0.762809D+01  0.792353D+01 -0.780818D+01 -0.388374D+01  0.585336D+01
      3   0.595157D+01  0.110564D+02 -0.121797D+02  0.411383D+01 -0.844311D+01
      4  -0.182191D+02 -0.408709D+01 -0.287832D+01 -0.889808D+01 -0.587420D+01
      5   0.175583D+02 -0.609787D+01  0.376732D+01 -0.493074D+01 -0.143780D+02
      6  -0.987269D+01 -0.336400D+01  0.363914D+00 -0.853764D+01 -0.119358D+02
               111           112           113           114           115 
      1   0.484246D+01  0.115403D+01  0.323518D+00 -0.982734D+01  0.585405D+01
      2  -0.569803D+01  0.570395D+01  0.289918D+01 -0.615193D+01 -0.667886D+01
      3   0.855564D+00 -0.685798D+01 -0.322270D+01  0.159793D+02  0.824804D+00
      4  -0.911925D+01 -0.876528D+01 -0.346092D+01 -0.769945D+01 -0.852008D+01
      5  -0.339184D+01 -0.149139D+02 -0.969117D+01 -0.501401D+01 -0.551740D+01
      6  -0.122405D+02 -0.105218D+02 -0.566237D+01 -0.555910D+01 -0.841155D+01
               116           117           118           119           120 
      1  -0.106543D+02 -0.394712D+01  0.375777D+01  0.273599D+01  0.188239D+01
      2  -0.541729D+01  0.589181D+01 -0.161158D+01 -0.522234D+01 -0.129629D+00
      3   0.160716D+02 -0.194469D+01 -0.214619D+01  0.248635D+01 -0.175277D+01
      4  -0.599205D+01  0.362894D+01 -0.161160D+02  0.140742D+02  0.102724D+02
      5  -0.178917D+01 -0.245190D+01 -0.124630D+02  0.825579D+01  0.116649D+02
      6  -0.330826D+01  0.608624D+01  0.109565D+02 -0.104531D+02 -0.101401D+02
               121           122           123           124           125 
      1   0.473563D+01 -0.103224D+02 -0.627804D+01  0.283951D+01 -0.654660D+01
      2  -0.661860D+01  0.143161D+02  0.499476D+01 -0.688187D+00  0.336425D+01
      3   0.188297D+01 -0.399363D+01  0.128328D+01 -0.215132D+01  0.318235D+01
      4   0.117353D+02 -0.145052D+02 -0.869738D+01  0.879924D+01 -0.888800D+01
      5   0.641398D+01 -0.773977D+01 -0.632244D+01  0.101116D+02 -0.755773D+01
      6  -0.100778D+02  0.156534D+02  0.135866D+02 -0.102822D+02  0.145244D+02
               126           127           128           129           130 
      1  -0.877531D+01 -0.224408D+01 -0.785392D+01 -0.132187D+01 -0.578659D+01
      2   0.752236D-01  0.896801D+01  0.192733D+02  0.343480D+01  0.134124D+02
      3   0.870009D+01 -0.672393D+01 -0.114193D+02 -0.211293D+01 -0.762579D+01
      4  -0.984822D+01  0.943043D+01  0.163466D+02  0.151894D+01  0.115478D+02
      5  -0.106006D+02  0.593961D+00  0.850528D+00  0.307419D+01  0.527937D-01
      6   0.164834D+02  0.100463D+01  0.303144D+01  0.174111D+01  0.246090D+01
               131           132           133           134           135 
      1  -0.343073D+02 -0.426847D+01 -0.261316D+01 -0.107095D+02 -0.584036D+01
      2   0.660885D+02  0.853213D+01  0.505451D+01  0.197596D+02  0.830491D+01
      3  -0.317811D+02 -0.426367D+01 -0.244135D+01 -0.905008D+01 -0.246455D+01
      4   0.192772D+02  0.336557D+01  0.331292D+01  0.649607D+01  0.292066D+01
      5   0.273215D+01  0.128741D+01  0.264685D+01  0.251869D+01  0.158432D+01
      6   0.773657D+01  0.848688D+01  0.194284D+01  0.121019D+02  0.605801D+01
               136           137           138           139           140 
      1  -0.357793D+00  0.636496D+01 -0.506914D+01  0.274043D+01 -0.101363D+02
      2   0.151253D+01 -0.870648D+01  0.519924D+01 -0.397059D+01  0.150807D+02
      3  -0.115473D+01  0.234153D+01 -0.130102D+00  0.123016D+01 -0.494434D+01
      4  -0.107216D+02  0.872862D+01 -0.730401D+01  0.624654D+01 -0.511476D+01
      5   0.695944D+01 -0.326843D+01  0.585826D+01 -0.179751D+01  0.389966D+01
      6  -0.890662D+01  0.101675D+02 -0.107628D+02  0.686291D+01 -0.998608D+01
               141           142           143           144           145 
      1   0.569533D+01 -0.510034D+01  0.984715D+01 -0.109412D+02  0.206302D+01
      2  -0.563268D+01  0.343336D+01 -0.874573D+01  0.397406D+01 -0.632027D+00
      3  -0.626490D-01  0.166698D+01 -0.110141D+01  0.696716D+01 -0.143099D+01
      4   0.526178D+01 -0.780144D+01  0.643431D+01 -0.728540D+01 -0.705986D+00
      5  -0.246246D+01  0.723279D+01 -0.335452D+01  0.564572D+01  0.287806D+01
      6   0.102345D+02 -0.101048D+02  0.158859D+02 -0.206516D+02 -0.223199D+01
               146           147           148           149           150 
      1  -0.273767D+01  0.487393D+01 -0.274054D+01 -0.110901D+02  0.825592D+01
      2   0.170191D+01 -0.251934D+01 -0.175034D+01  0.208171D+02 -0.909304D+01
      3   0.103576D+01 -0.235459D+01  0.449088D+01 -0.972702D+01  0.837116D+00
      4   0.321032D+01 -0.173555D+01  0.123438D+02 -0.271695D+02  0.128332D+02
      5  -0.686702D+00  0.209012D+01 -0.368890D+01  0.140856D+02 -0.147733D+02
      6  -0.134137D+01  0.894973D+00  0.312999D+01 -0.166264D+02  0.145374D+02
               151           152           153           154           155 
      1   0.682854D+01  0.830748D+01 -0.742034D+01  0.668444D+02  0.123136D+02
      2  -0.293253D+01 -0.947231D+01  0.380125D+01 -0.391451D+02 -0.853061D+01
      3  -0.389601D+01  0.116484D+01  0.361909D+01 -0.276993D+02 -0.378297D+01
      4  -0.730185D+01  0.162773D+02 -0.138497D+02  0.370257D+01  0.920611D+01
      5   0.856579D+01 -0.155342D+02  0.148931D+02  0.156090D+02  0.330251D+01
      6  -0.433340D+01  0.159705D+02 -0.143964D+02 -0.937768D+00  0.351029D+00
               156           157           158           159           160 
      1   0.107036D+02  0.319331D+02  0.961739D+01  0.574608D+01  0.143215D+02
      2  -0.770568D+01 -0.189553D+02 -0.547800D+01 -0.488628D+01 -0.101662D+02
      3  -0.299794D+01 -0.129779D+02 -0.413939D+01 -0.859799D+00 -0.415531D+01
      4   0.127270D+01  0.989027D+01  0.100017D+02  0.301751D+01  0.147714D+01
      5   0.119709D+02  0.832591D+01  0.428016D+01  0.499195D+01  0.147543D+02
      6  -0.142725D+01  0.472977D+00  0.385410D+00  0.213764D+01 -0.142492D+01
               161           162           163           164           165 
      1   0.379926D+01  0.798095D+01  0.112553D+02 -0.219467D+01 -0.498428D+01
      2  -0.360229D+01 -0.590795D+01 -0.575366D+01 -0.610091D+00  0.152294D+01
      3  -0.196972D+00 -0.207300D+01 -0.550168D+01  0.280476D+01  0.346134D+01
      4   0.357964D+01 -0.957187D+00 -0.606177D+01  0.676419D+01  0.720277D+01
      5   0.392578D+00  0.635859D+01 -0.695061D+01  0.613805D+01  0.980583D+01
      6   0.336535D+01  0.821623D-01  0.417951D+01 -0.275309D+01 -0.354218D+01
               166           167           168           169           170 
      1  -0.253944D+01 -0.571397D-01  0.210620D+01 -0.129243D+02  0.375337D+01
      2  -0.214346D+01  0.645604D+01  0.166041D+01  0.593347D+01  0.142444D+01
      3   0.468289D+01 -0.639890D+01 -0.376661D+01  0.699087D+01 -0.517781D+01
      4   0.124761D+02 -0.161552D+02 -0.919628D+01  0.153181D+02 -0.151377D+02
      5   0.744149D+01 -0.817375D+01 -0.129741D+02  0.171831D+02 -0.153143D+02
      6  -0.435653D+01  0.654210D+01  0.106619D+02 -0.796439D+01  0.116204D+02
               171           172           173           174           175 
      1   0.198667D+01 -0.504580D+01  0.224601D+01 -0.116410D+02  0.627904D+00
      2  -0.343373D+01 -0.434225D+00 -0.275077D+00  0.180557D+00  0.142019D+01
      3   0.144706D+01  0.548003D+01 -0.197093D+01  0.114604D+02 -0.204810D+01
      4  -0.156382D+02 -0.282495D+01 -0.366140D+00  0.832910D+00  0.282579D+01
      5  -0.294298D+02  0.102838D+01  0.304056D+01 -0.271847D+01  0.169237D+01
      6   0.160119D+02 -0.129180D+01  0.408421D+01 -0.656562D+01  0.167165D+01
               176           177           178           179           180 
      1  -0.451710D+01  0.797972D+01 -0.105745D+02  0.778920D+01 -0.246137D+02
      2   0.228911D+01 -0.217477D+01  0.219497D+01 -0.112019D+01 -0.814864D+01
      3   0.222798D+01 -0.580495D+01  0.837956D+01 -0.666901D+01  0.327624D+02
      4   0.348092D+01 -0.199962D+01 -0.152981D+01 -0.285876D+01  0.259869D+01
      5  -0.243006D+01  0.177363D+01  0.383183D+01  0.425957D+01 -0.167549D+02
      6  -0.574391D+01  0.861866D+01 -0.285937D+01  0.907079D+01 -0.155632D+02
               181           182           183           184           185 
      1   0.120672D+02  0.623446D+01 -0.492887D+00  0.864721D+01  0.227502D+01
      2  -0.168055D+01  0.397021D+01  0.113595D+01  0.587875D+01  0.202721D+02
      3  -0.103867D+02 -0.102047D+02 -0.643063D+00 -0.145260D+02 -0.225471D+02
      4   0.128349D+02  0.163765D+02  0.239780D+01  0.232810D+02  0.355221D+02
      5  -0.308106D+01  0.267844D+00  0.304108D+01 -0.161901D+01 -0.197509D+01
      6  -0.111697D+01 -0.306182D+01 -0.928298D-01 -0.468299D+01 -0.935002D+01
               186           187           188           189           190 
      1   0.297140D+01  0.464859D+01  0.375508D+01 -0.993360D+00  0.488318D+02
      2   0.176587D+01  0.217125D+00  0.356093D+01  0.177076D+01 -0.330151D+02
      3  -0.473727D+01 -0.486572D+01 -0.731601D+01 -0.777396D+00 -0.158168D+02
      4   0.121339D+01  0.845403D+01  0.917307D+01  0.338837D+01 -0.569412D+01
      5   0.581119D+01  0.186553D+01  0.302849D+01  0.332962D+01 -0.313640D+02
      6   0.473471D+01  0.346117D-01  0.229960D+01  0.135398D+01  0.313524D+01
               191           192           193           194           195 
      1  -0.106813D+02 -0.140670D+02 -0.233551D+02  0.950328D+01  0.727775D+01
      2   0.907919D+01  0.131859D+02  0.178249D+02 -0.488748D+01 -0.832847D+01
      3   0.160210D+01  0.881099D+00  0.553015D+01 -0.461580D+01  0.105072D+01
      4   0.996656D+01  0.239793D+01  0.114580D+02 -0.815223D+01 -0.310338D+01
      5   0.730730D+01  0.181984D+02  0.185432D+02 -0.726134D+01 -0.131939D+02
      6  -0.450743D+01 -0.134761D+01 -0.460723D+01  0.505756D+01  0.257029D+01
               196           197           198           199           200 
      1  -0.887045D+01  0.293653D+01  0.449339D+01 -0.521468D+01 -0.529178D+01
      2   0.101750D+02 -0.292660D+01 -0.845311D+01  0.189732D+01  0.147973D+01
      3  -0.130454D+01 -0.992902D-02  0.395972D+01  0.331736D+01  0.381205D+01
      4   0.295117D+01 -0.121973D+01 -0.258652D+01 -0.101020D+01  0.127720D+01
      5   0.152611D+02 -0.479641D+01 -0.127151D+02 -0.203061D+01  0.717584D+00
      6  -0.231614D+01  0.246325D+01  0.509594D+00 -0.195876D+01 -0.187956D+01
               201           202           203           204           205 
      1   0.850763D+01 -0.637201D+01 -0.437572D+01  0.785561D+01  0.788860D+01
      2   0.222678D+01  0.292081D+01  0.122766D+01  0.439169D+00 -0.152190D+01
      3  -0.107344D+02  0.345119D+01  0.314805D+01 -0.829478D+01 -0.636669D+01
      4   0.184490D+01  0.412928D+01 -0.340314D+01  0.464749D+01  0.952390D+00
      5  -0.360325D+01 -0.109009D+01  0.431306D+01 -0.537188D+01  0.328310D+01
      6   0.249442D+01 -0.516120D+00 -0.508212D+01  0.783933D+01  0.266551D+01
               206           207           208           209           210 
      1   0.911032D+01 -0.213150D+02  0.440721D+02 -0.170247D+02  0.553142D+00
      2  -0.792694D+00 -0.895267D+01 -0.182041D+02  0.400781D+01 -0.172068D+01
      3  -0.831762D+01  0.302677D+02 -0.258680D+02  0.130169D+02  0.116753D+01
      4   0.458842D+01 -0.505362D+01 -0.255190D+02  0.197898D+02 -0.776653D-01
      5  -0.430423D+01  0.160214D+02  0.104243D+02 -0.345852D+01  0.711082D+01
      6   0.784662D+01 -0.991402D+01 -0.557546D+01  0.528696D+01 -0.124437D+01
               211           212           213           214           215 
      1  -0.236867D+02  0.132616D+02  0.141194D+01 -0.111007D+02  0.527916D+01
      2   0.635368D+01  0.207207D+00  0.142917D+01  0.404223D+01 -0.343582D+00
      3   0.173330D+02 -0.134688D+02 -0.284111D+01  0.705844D+01 -0.493558D+01
      4   0.258179D+02 -0.216089D+02  0.187294D+01  0.686521D+01 -0.457986D+01
      5  -0.577061D+01  0.526104D+01 -0.591176D+01  0.415788D+01 -0.273618D+01
      6   0.638822D+01 -0.485565D+01  0.383391D+01 -0.548765D+00  0.182812D+01
               216           217           218           219           220 
      1   0.198216D+01  0.174378D+02  0.662701D+01  0.603129D+01  0.136559D+02
      2  -0.101434D+01 -0.990416D+01 -0.509946D+01 -0.504061D+01 -0.907032D+01
      3  -0.967811D+00 -0.753367D+01 -0.152755D+01 -0.990687D+00 -0.458557D+01
      4  -0.386802D+01  0.978307D+01  0.130681D+02  0.604617D+01  0.186433D+02
      5  -0.234509D+01  0.126533D+02  0.827760D+01  0.871127D+01  0.157710D+02
      6   0.121754D+00  0.494166D+01  0.555519D+01  0.410941D+01  0.889247D+01
               221           222           223           224           225 
      1   0.780815D+01  0.453092D+01  0.416071D+01  0.274932D+01 -0.136738D+00
      2  -0.283231D+01 -0.648074D+01 -0.524163D+01 -0.396828D+01 -0.535193D+01
      3  -0.497585D+01  0.194983D+01  0.108093D+01  0.121897D+01  0.548866D+01
      4   0.214968D+02  0.978414D+01  0.646733D+01  0.635618D+01  0.679876D+01
      5   0.123323D+02  0.146676D+02  0.969855D+01  0.841195D+01  0.115010D+02
      6   0.126954D+02  0.870691D+01  0.514059D+01  0.678830D+01  0.531671D+01
               226           227           228           229           230 
      1  -0.581234D+00 -0.292509D+00  0.190141D+01 -0.979988D+00 -0.473396D+01
      2  -0.233075D+01 -0.172514D+01  0.230456D+01 -0.148580D+00 -0.339348D+01
      3   0.291199D+01  0.201765D+01 -0.420597D+01  0.112857D+01  0.812743D+01
      4   0.636683D+00  0.216527D+01  0.363388D+00  0.291424D+01 -0.232766D+01
      5  -0.127928D+01 -0.101633D+01  0.510085D+01 -0.233309D+01  0.298032D+01
      6  -0.114303D+01  0.157944D+00  0.729611D+00  0.313975D+00 -0.807644D+01
               231           232           233           234           235 
      1   0.857208D+01  0.827118D+00  0.603526D+01 -0.167742D+02  0.848195D+01
      2   0.798656D+01  0.782710D+00  0.579964D+01 -0.180105D+02 -0.631779D+01
      3  -0.165586D+02 -0.160983D+01 -0.118349D+02  0.347847D+02 -0.216416D+01
      4   0.325622D+01  0.887546D-01  0.175379D+01 -0.216027D+01  0.149614D+02
      5  -0.426032D+01  0.600843D+01 -0.112733D+01  0.632953D+01  0.190442D+02
      6   0.102589D+02  0.176022D+01  0.833147D+01 -0.727062D+01  0.112197D+02
               236           237           238           239           240 
      1   0.100144D+01 -0.192878D-01 -0.207430D+00 -0.537682D+01 -0.359781D+01
      2  -0.135827D+01 -0.522614D+01  0.129908D+00  0.558868D+01  0.190044D+00
      3   0.356826D+00  0.524543D+01  0.775218D-01 -0.211856D+00  0.340776D+01
      4   0.126439D+02  0.919233D+01  0.128595D+02  0.140200D+02  0.912096D+01
      5   0.119949D+02  0.160603D+02  0.123576D+02  0.111351D+02  0.105539D+02
      6   0.101031D+02  0.104207D+02  0.112190D+02  0.152540D+02  0.132456D+02
               241           242           243 
      1  -0.205809D+01 -0.273240D+01 -0.490688D+01
      2  -0.301457D+01 -0.272053D+00 -0.531858D+01
      3   0.507266D+01  0.300445D+01  0.102255D+02
      4   0.595048D+01  0.534271D+01  0.636361D+01
      5   0.107526D+02  0.737934D+01  0.122840D+02
      6   0.798341D+01  0.934186D+01  0.101515D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.116025D+01      0.294906D+01      0.983702D+01
   x          0.482446D-01      0.122626D+00      0.409035D+00
   y          0.104100D+01      0.264595D+01      0.882594D+01
   z          0.510078D+00      0.129649D+01      0.432462D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111759D+03      0.165610D+02      0.184266D+02
   aniso      0.162347D+02      0.240573D+01      0.267674D+01
   xx         0.121387D+03      0.179878D+02      0.200141D+02
   yx         0.337563D+00      0.500217D-01      0.556567D-01
   yy         0.111185D+03      0.164759D+02      0.183319D+02
   zx        -0.360708D+00     -0.534514D-01     -0.594727D-01
   zy         0.324921D+00      0.481483D-01      0.535723D-01
   zz         0.102705D+03      0.152193D+02      0.169338D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118782D+03      0.176017D+02      0.195846D+02
   aniso      0.178448D+02      0.264433D+01      0.294222D+01
   xx         0.129322D+03      0.191636D+02      0.213223D+02
   yx         0.210864D+00      0.312468D-01      0.347667D-01
   yy         0.118206D+03      0.175164D+02      0.194896D+02
   zx        -0.596672D+00     -0.884176D-01     -0.983779D-01
   zy         0.630548D+00      0.934376D-01      0.103963D+00
   zz         0.108819D+03      0.161252D+02      0.179418D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.37273059         -0.39284393         -0.14543919
     6          2.56748015          2.28375909          1.08094472
     6          0.04482988         -0.21999586         -1.83706040
     8          0.01351305         -0.13754316         -4.11284856
     6         -2.29178732         -0.13756716         -0.09791152
     6         -0.99941665         -0.17083076          2.54017956
     6          0.37571512          2.34619555          3.03171297
     6          4.73674481         -1.31377568         -1.45017344
     1          2.43759292          3.77861554         -0.33179074
     1          4.40761427          2.46296671          1.99351322
     6         -3.89509641         -2.52047651         -0.52525484
     6         -3.91720947          2.17972346         -0.68424940
     6          1.28076777         -1.92528972          2.08316302
     1         -2.28234483         -0.73311803          4.04964969
     1          1.11140923          2.37128634          4.95683675
     1         -0.83808699          3.99259598          2.82964710
     1          4.47330694         -3.21319829         -2.20875511
     1          6.32952772         -1.35221876         -0.13896163
     1          5.22174688         -0.08076998         -3.02958415
     1         -2.87559879         -4.25264349         -0.07910120
     1         -4.48924920         -2.62448519         -2.49517623
     1         -5.58118633         -2.44807464          0.66265947
     1         -2.84398557          3.93492834         -0.62574479
     1         -5.47351840          2.32845412          0.66386739
     1         -4.71206762          2.00619565         -2.57664805
     1          0.78429932         -3.85578962          1.56845689
     1          2.57389865         -1.98777706          3.68845341

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.116025D+01      0.294906D+01      0.983702D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.116025D+01      0.294906D+01      0.983702D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111759D+03      0.165610D+02      0.184266D+02
   aniso      0.162347D+02      0.240573D+01      0.267674D+01
   xx         0.121362D+03      0.179839D+02      0.200098D+02
   yx        -0.107125D+00     -0.158742D-01     -0.176625D-01
   yy         0.104084D+03      0.154237D+02      0.171611D+02
   zx         0.707298D+00      0.104811D+00      0.116618D+00
   zy         0.315101D+01      0.466931D+00      0.519531D+00
   zz         0.109832D+03      0.162754D+02      0.181088D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118782D+03      0.176017D+02      0.195846D+02
   aniso      0.178448D+02      0.264433D+01      0.294222D+01
   xx         0.129319D+03      0.191631D+02      0.213219D+02
   yx        -0.780461D-02     -0.115652D-02     -0.128681D-02
   yy         0.110125D+03      0.163189D+02      0.181572D+02
   zx         0.530325D+00      0.785860D-01      0.874387D-01
   zy         0.333361D+01      0.493990D+00      0.549638D+00
   zz         0.116903D+03      0.173232D+02      0.192746D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-32\Freq\RB3LYP\Gen\C10H16O1\PIERPA\09-Jul-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,1.256274,-0.193232,0.100473\C,1.349487,1.010756,-0.889322
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 RESEARCH IS WHAT I AM DOING WHEN I DON'T KNOW WHAT I AM DOING.
     -- WERNER VON BRAUN
 Job cpu time:       0 days  6 hours 28 minutes 29.0 seconds.
 Elapsed time:       0 days  0 hours 32 minutes 27.9 seconds.
 File lengths (MBytes):  RWF=    477 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 21:44:56 2021.
